5-methyl-N-(3-phenylpropyl)pyrimidin-2-amine

C14H17N3 — CID 63208283

IUPAC5-methyl-N-(3-phenylpropyl)pyrimidin-2-amine
SMILESCc1cnc(NCCCc2ccccc2)nc1
InChIInChI=1S/C14H17N3/c1-12-10-16-14(17-11-12)15-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,15,16,17)
InChIKeyVUKTWQZQSSYPOS-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.83
Rot. Bonds5

About 5-methyl-N-(3-phenylpropyl)pyrimidin-2-amine

5-methyl-N-(3-phenylpropyl)pyrimidin-2-amine (PubChem CID 63208283) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 5-methyl-N-(3-phenylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-(3-phenylpropyl)pyrimidin-2-amine
PubChem CID63208283
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name5-methyl-N-(3-phenylpropyl)pyrimidin-2-amine
SMILESCc1cnc(NCCCc2ccccc2)nc1
InChIInChI=1S/C14H17N3/c1-12-10-16-14(17-11-12)15-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,15,16,17)
InChIKeyVUKTWQZQSSYPOS-UHFFFAOYSA-N
XLogP2.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.83
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

5-chloro-N-(3-phenylpropyl)pyrimidin-2-amine
CID 79557504
5-methyl-N-(3-phenylpropyl)pyridin-2-amine
CID 54931107
5-methyl-N-(2-phenylsulfanylethyl)pyrimidin-2-amine
CID 63208478
N'-(5-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 63256061
5-methyl-N-octylpyrimidin-2-amine
CID 115568974
4-N-(4-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899361
5-(3-methylphenyl)-N-(3-phenylpropyl)-4-pyridin-4-ylpyrimidin-2-amine
CID 70022479
6-methyl-4-N-(2-phenylethyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112920056
2-(benzylamino)-4-methyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 20959691
N-(4-chlorophenyl)-2-(3-phenylpropylamino)pyrimidine-5-carboxamide
CID 109262706
6-N,5-dimethyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 80790674
N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259381

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-phenylpropyl)pyrimidin-2-amine?
The IUPAC name of 5-methyl-N-(3-phenylpropyl)pyrimidin-2-amine (CID 63208283) is 5-methyl-N-(3-phenylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-N-(3-phenylpropyl)pyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-(3-phenylpropyl)pyrimidin-2-amine is Cc1cnc(NCCCc2ccccc2)nc1.
What is the InChIKey of 5-methyl-N-(3-phenylpropyl)pyrimidin-2-amine?
The InChIKey is VUKTWQZQSSYPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-12-10-16-14(17-11-12)15-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,15,16,17).
What are the key properties of 5-methyl-N-(3-phenylpropyl)pyrimidin-2-amine?
5-methyl-N-(3-phenylpropyl)pyrimidin-2-amine has a molecular weight of 227.31 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-phenylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 63208283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).