N-[2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C18H22ClN3O — CID 87633226

IUPACN-[2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1nc(Cl)nc(C)c1CCNC1CCCc2ccccc21
InChIInChI=1S/C18H22ClN3O/c1-12-14(17(23-2)22-18(19)21-12)10-11-20-16-9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8,16,20H,5,7,9-11H2,1-2H3
InChIKeyJCLPWPONNDQYCD-UHFFFAOYSA-N
MW331.85 g/mol
LogP3.66
Rot. Bonds5

About N-[2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

N-[2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 87633226) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is N-[2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID87633226
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC NameN-[2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1nc(Cl)nc(C)c1CCNC1CCCc2ccccc21
InChIInChI=1S/C18H22ClN3O/c1-12-14(17(23-2)22-18(19)21-12)10-11-20-16-9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8,16,20H,5,7,9-11H2,1-2H3
InChIKeyJCLPWPONNDQYCD-UHFFFAOYSA-N
XLogP3.66
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-chloro-4-methoxy-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
N'-(1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine
CID 60888348
(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
N-(2-pyridin-3-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 60894294
N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43079139
N-[2-(cyclopenten-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 106169705
methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate
CID 19794096
N-(2-pyridin-2-ylethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43193645
N-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104791593
N-[(2,3,4-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 3126346
N-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 54507059
6-chloro-4,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridazin-3-amine
CID 63271648

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 87633226) is N-[2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is COc1nc(Cl)nc(C)c1CCNC1CCCc2ccccc21.
What is the InChIKey of N-[2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is JCLPWPONNDQYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-12-14(17(23-2)22-18(19)21-12)10-11-20-16-9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8,16,20H,5,7,9-11H2,1-2H3.
What are the key properties of N-[2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
N-[2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 331.85 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 87633226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).