N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]propan-1-amine

C18H23N3 — CID 65406026

IUPACN-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C2CCc3ccccc3C2)nc1
InChIInChI=1S/C18H23N3/c1-2-9-19-11-14-12-20-18(21-13-14)17-8-7-15-5-3-4-6-16(15)10-17/h3-6,12-13,17,19H,2,7-11H2,1H3
InChIKeyHZFNSIBZYGHCGW-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.25
Rot. Bonds5

About N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]propan-1-amine

N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]propan-1-amine (PubChem CID 65406026) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]propan-1-amine
PubChem CID65406026
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C2CCc3ccccc3C2)nc1
InChIInChI=1S/C18H23N3/c1-2-9-19-11-14-12-20-18(21-13-14)17-8-7-15-5-3-4-6-16(15)10-17/h3-6,12-13,17,19H,2,7-11H2,1H3
InChIKeyHZFNSIBZYGHCGW-UHFFFAOYSA-N
XLogP3.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 65403690
N-[[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65405832
N-propyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine
CID 65403467
N-[[2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 65403495
2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine
CID 68856082
N-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65329120
N-[[2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 65405264
N-[[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-5-yl]methyl]ethanamine
CID 65405636
N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methyl]ethanamine
CID 65403880
N-[(2-methylpyrimidin-5-yl)methyl]propan-1-amine
CID 60976157
N-[2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 107127894
[2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-5-yl]methanamine
CID 65404660

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]propan-1-amine (CID 65406026) is N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]propan-1-amine is CCCNCc1cnc(C2CCc3ccccc3C2)nc1.
What is the InChIKey of N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]propan-1-amine?
The InChIKey is HZFNSIBZYGHCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-2-9-19-11-14-12-20-18(21-13-14)17-8-7-15-5-3-4-6-16(15)10-17/h3-6,12-13,17,19H,2,7-11H2,1H3.
What are the key properties of N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]propan-1-amine?
N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]propan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 65406026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).