(1S)-N-[2-[2-(2,6-diethylphenyl)-4-(2,2-dimethylmorpholin-4-yl)-6-methylpyrimidin-5-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C33H44N4O — CID 91141761

IUPAC(1S)-N-[2-[2-(2,6-diethylphenyl)-4-(2,2-dimethylmorpholin-4-yl)-6-methylpyrimidin-5-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCc1cccc(CC)c1-c1nc(C)c(CCN[C@H]2CCCc3ccccc32)c(N2CCOC(C)(C)C2)n1
InChIInChI=1S/C33H44N4O/c1-6-24-13-10-14-25(7-2)30(24)31-35-23(3)27(32(36-31)37-20-21-38-33(4,5)22-37)18-19-34-29-17-11-15-26-12-8-9-16-28(26)29/h8-10,12-14,16,29,34H,6-7,11,15,17-22H2,1-5H3/t29-/m0/s1
InChIKeyNDZFJMOFRPUOLQ-LJAQVGFWSA-N
MW512.74 g/mol
LogP6.40
Rot. Bonds8

About (1S)-N-[2-[2-(2,6-diethylphenyl)-4-(2,2-dimethylmorpholin-4-yl)-6-methylpyrimidin-5-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

(1S)-N-[2-[2-(2,6-diethylphenyl)-4-(2,2-dimethylmorpholin-4-yl)-6-methylpyrimidin-5-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 91141761) has the molecular formula C33H44N4O and a molecular weight of 512.74 g/mol. Its IUPAC name is (1S)-N-[2-[2-(2,6-diethylphenyl)-4-(2,2-dimethylmorpholin-4-yl)-6-methylpyrimidin-5-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1S)-N-[2-[2-(2,6-diethylphenyl)-4-(2,2-dimethylmorpholin-4-yl)-6-methylpyrimidin-5-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID91141761
Molecular FormulaC33H44N4O
Molecular Weight512.74 g/mol
Exact Mass512.35
IUPAC Name(1S)-N-[2-[2-(2,6-diethylphenyl)-4-(2,2-dimethylmorpholin-4-yl)-6-methylpyrimidin-5-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCc1cccc(CC)c1-c1nc(C)c(CCN[C@H]2CCCc3ccccc32)c(N2CCOC(C)(C)C2)n1
InChIInChI=1S/C33H44N4O/c1-6-24-13-10-14-25(7-2)30(24)31-35-23(3)27(32(36-31)37-20-21-38-33(4,5)22-37)18-19-34-29-17-11-15-26-12-8-9-16-28(26)29/h8-10,12-14,16,29,34H,6-7,11,15,17-22H2,1-5H3/t29-/m0/s1
InChIKeyNDZFJMOFRPUOLQ-LJAQVGFWSA-N
XLogP6.40
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.74
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-N-[2-[2-(2,6-diethylphenyl)-4-(2,2-dimethylmorpholin-4-yl)-6-methylpyrimidin-5-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

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Related Compounds

(1S)-N-[2-[4-(azepan-1-yl)-2-(2,6-diethylphenyl)-6-methylpyrimidin-5-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 91172524
(1S)-N-[2-[2-(2,6-diethylphenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-5-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 91253952
(2S)-1-[2-(2,6-diethylphenyl)-6-methyl-5-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
CID 91026196
N-[2-[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 91375648
(1R)-N-[[2-(2,6-diethylphenyl)-4-methyl-6-pyrazol-1-ylpyrimidin-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 66589600
N-[2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 87633226
N-[(2-ethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62391908
(1S)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 95142484
N-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43195481
1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 30867258
N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43079139
N-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115717469

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[2-[2-(2,6-diethylphenyl)-4-(2,2-dimethylmorpholin-4-yl)-6-methylpyrimidin-5-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1S)-N-[2-[2-(2,6-diethylphenyl)-4-(2,2-dimethylmorpholin-4-yl)-6-methylpyrimidin-5-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 91141761) is (1S)-N-[2-[2-(2,6-diethylphenyl)-4-(2,2-dimethylmorpholin-4-yl)-6-methylpyrimidin-5-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1S)-N-[2-[2-(2,6-diethylphenyl)-4-(2,2-dimethylmorpholin-4-yl)-6-methylpyrimidin-5-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1S)-N-[2-[2-(2,6-diethylphenyl)-4-(2,2-dimethylmorpholin-4-yl)-6-methylpyrimidin-5-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is CCc1cccc(CC)c1-c1nc(C)c(CCN[C@H]2CCCc3ccccc32)c(N2CCOC(C)(C)C2)n1.
What is the InChIKey of (1S)-N-[2-[2-(2,6-diethylphenyl)-4-(2,2-dimethylmorpholin-4-yl)-6-methylpyrimidin-5-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is NDZFJMOFRPUOLQ-LJAQVGFWSA-N. The full InChI is InChI=1S/C33H44N4O/c1-6-24-13-10-14-25(7-2)30(24)31-35-23(3)27(32(36-31)37-20-21-38-33(4,5)22-37)18-19-34-29-17-11-15-26-12-8-9-16-28(26)29/h8-10,12-14,16,29,34H,6-7,11,15,17-22H2,1-5H3/t29-/m0/s1.
What are the key properties of (1S)-N-[2-[2-(2,6-diethylphenyl)-4-(2,2-dimethylmorpholin-4-yl)-6-methylpyrimidin-5-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
(1S)-N-[2-[2-(2,6-diethylphenyl)-4-(2,2-dimethylmorpholin-4-yl)-6-methylpyrimidin-5-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 512.74 g/mol, XLogP of 6.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[2-[2-(2,6-diethylphenyl)-4-(2,2-dimethylmorpholin-4-yl)-6-methylpyrimidin-5-yl]ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 91141761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).