4-methyl-6-(3-phenylmethoxypropyl)pyrimidin-2-amine

C15H19N3O — CID 70759342

IUPAC4-methyl-6-(3-phenylmethoxypropyl)pyrimidin-2-amine
SMILESCc1cc(CCCOCc2ccccc2)nc(N)n1
InChIInChI=1S/C15H19N3O/c1-12-10-14(18-15(16)17-12)8-5-9-19-11-13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9,11H2,1H3,(H2,16,17,18)
InChIKeyPCHQBOSXDWYHEP-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.52
Rot. Bonds6

About 4-methyl-6-(3-phenylmethoxypropyl)pyrimidin-2-amine

4-methyl-6-(3-phenylmethoxypropyl)pyrimidin-2-amine (PubChem CID 70759342) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-methyl-6-(3-phenylmethoxypropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(3-phenylmethoxypropyl)pyrimidin-2-amine
PubChem CID70759342
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-methyl-6-(3-phenylmethoxypropyl)pyrimidin-2-amine
SMILESCc1cc(CCCOCc2ccccc2)nc(N)n1
InChIInChI=1S/C15H19N3O/c1-12-10-14(18-15(16)17-12)8-5-9-19-11-13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9,11H2,1H3,(H2,16,17,18)
InChIKeyPCHQBOSXDWYHEP-UHFFFAOYSA-N
XLogP2.52
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxy-6-phenyl-2-pyrimidinamine
CID 676910
Ethyl 3-[(4,6-dimethyl-2-pyrimidinyl)amino]benzoate
CID 734456
4-(1-Methoxycyclohexyl)-6-phenyl-2-pyrimidinamine
CID 745958
N-isopropyl-6-(methoxymethyl)-2-phenyl-4-pyrimidinamine
CID 1476686
N-allyl-6-(methoxymethyl)-2-phenyl-4-pyrimidinamine
CID 3723355
2,4-Dimethoxy-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine
CID 90681088
4-Ethoxy-6-phenylpyrimidin-2-amine
CID 677140
3-(4,6-Dimethylpyrimidin-2-yl)-5-(4-ethylphenyl)-1,3-oxazol-2-imine
CID 666667
6-(methoxymethyl)-2-phenyl-N-propyl-4-pyrimidinamine
CID 4314667
1-(4,6-dimethylpyrimidin-2-yl)-3-[(2S)-2-hydroxy-2-phenyl-ethyl]guanidine
CID 6480066
4-Methoxy-6-styrylpyrimidin-2-amine
CID 13285567
4-Butyl-6-(4-methoxyphenyl)pyrimidin-2-amine
CID 155542256

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(3-phenylmethoxypropyl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-(3-phenylmethoxypropyl)pyrimidin-2-amine (CID 70759342) is 4-methyl-6-(3-phenylmethoxypropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-(3-phenylmethoxypropyl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-(3-phenylmethoxypropyl)pyrimidin-2-amine is Cc1cc(CCCOCc2ccccc2)nc(N)n1.
What is the InChIKey of 4-methyl-6-(3-phenylmethoxypropyl)pyrimidin-2-amine?
The InChIKey is PCHQBOSXDWYHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12-10-14(18-15(16)17-12)8-5-9-19-11-13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9,11H2,1H3,(H2,16,17,18).
What are the key properties of 4-methyl-6-(3-phenylmethoxypropyl)pyrimidin-2-amine?
4-methyl-6-(3-phenylmethoxypropyl)pyrimidin-2-amine has a molecular weight of 257.34 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(3-phenylmethoxypropyl)pyrimidin-2-amine is sourced from PubChem (CID 70759342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).