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

C16H21N3O2 — CID 103399695

IUPACN-[[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(-c2cc(OC)cc(OC)c2)n1
InChIInChI=1S/C16H21N3O2/c1-4-6-17-11-13-5-7-18-16(19-13)12-8-14(20-2)10-15(9-12)21-3/h5,7-10,17H,4,6,11H2,1-3H3
InChIKeyVWGMMALQSURWNI-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.66
Rot. Bonds7

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

N-[[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine (PubChem CID 103399695) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine
PubChem CID103399695
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(-c2cc(OC)cc(OC)c2)n1
InChIInChI=1S/C16H21N3O2/c1-4-6-17-11-13-5-7-18-16(19-13)12-8-14(20-2)10-15(9-12)21-3/h5,7-10,17H,4,6,11H2,1-3H3
InChIKeyVWGMMALQSURWNI-UHFFFAOYSA-N
XLogP2.66
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 62747200
N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]ethanamine
CID 46785129
4-(chloromethyl)-2-(3,5-dimethoxyphenyl)pyrimidine
CID 103399713
N-[[2-(3-bromo-5-fluorophenyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 66424301
N-[(4-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 62291375
N-[[2-(3,5-dimethoxyphenyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 103399703
N-[(2-quinolin-6-ylpyrimidin-4-yl)methyl]propan-1-amine
CID 63094938
1-[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]propan-2-amine
CID 103399718
1-[2-(3-methoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine
CID 62748257
N-[[2-(methoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 62746833
N-[[2-(1-methylpyrazol-3-yl)pyrimidin-4-yl]methyl]propan-1-amine
CID 65197789
N-[(2-phenylpyrimidin-4-yl)methyl]butan-1-amine
CID 46785106

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine (CID 103399695) is N-[[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine is CCCNCc1ccnc(-c2cc(OC)cc(OC)c2)n1.
What is the InChIKey of N-[[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine?
The InChIKey is VWGMMALQSURWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-6-17-11-13-5-7-18-16(19-13)12-8-14(20-2)10-15(9-12)21-3/h5,7-10,17H,4,6,11H2,1-3H3.
What are the key properties of N-[[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine?
N-[[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine has a molecular weight of 287.36 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 103399695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).