N-[[(2R)-oxolan-2-yl]methyl]-6-phenylpyrimidin-4-amine

C15H17N3O — CID 1408931

IUPACN-[[(2R)-oxolan-2-yl]methyl]-6-phenylpyrimidin-4-amine
SMILESc1ccc(-c2cc(NC[C@H]3CCCO3)ncn2)cc1
InChIInChI=1S/C15H17N3O/c1-2-5-12(6-3-1)14-9-15(18-11-17-14)16-10-13-7-4-8-19-13/h1-3,5-6,9,11,13H,4,7-8,10H2,(H,16,17,18)/t13-/m1/s1
InChIKeyNTKNQJNORNRBCB-CYBMUJFWSA-N
MW255.32 g/mol
LogP2.73
Rot. Bonds4

About N-[[(2R)-oxolan-2-yl]methyl]-6-phenylpyrimidin-4-amine

N-[[(2R)-oxolan-2-yl]methyl]-6-phenylpyrimidin-4-amine (PubChem CID 1408931) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-6-phenylpyrimidin-4-amine
PubChem CID1408931
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-6-phenylpyrimidin-4-amine
SMILESc1ccc(-c2cc(NC[C@H]3CCCO3)ncn2)cc1
InChIInChI=1S/C15H17N3O/c1-2-5-12(6-3-1)14-9-15(18-11-17-14)16-10-13-7-4-8-19-13/h1-3,5-6,9,11,13H,4,7-8,10H2,(H,16,17,18)/t13-/m1/s1
InChIKeyNTKNQJNORNRBCB-CYBMUJFWSA-N
XLogP2.73
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(2R)-oxolan-2-yl]methyl]-6-phenylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(oxolan-2-ylmethyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112857213
4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857188
4-N-(oxolan-2-ylmethyl)-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112857246
6-N-(oxolan-2-ylmethyl)-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112857200
4-N-(oxolan-2-ylmethyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112857212
4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112857277
4-N-cycloheptyl-6-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880638
4-N-benzyl-2-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935698
4-N-(oxolan-2-ylmethyl)-6-phenyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112935622
2-morpholin-4-yl-N-(oxolan-2-ylmethyl)-6-phenylpyrimidin-4-amine
CID 112935476
2-N-(oxolan-2-ylmethyl)-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932649
2-N-(2,6-dimethylphenyl)-4-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935652

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-6-phenylpyrimidin-4-amine?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-6-phenylpyrimidin-4-amine (CID 1408931) is N-[[(2R)-oxolan-2-yl]methyl]-6-phenylpyrimidin-4-amine.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-6-phenylpyrimidin-4-amine?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-6-phenylpyrimidin-4-amine is c1ccc(-c2cc(NC[C@H]3CCCO3)ncn2)cc1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-6-phenylpyrimidin-4-amine?
The InChIKey is NTKNQJNORNRBCB-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-5-12(6-3-1)14-9-15(18-11-17-14)16-10-13-7-4-8-19-13/h1-3,5-6,9,11,13H,4,7-8,10H2,(H,16,17,18)/t13-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-6-phenylpyrimidin-4-amine?
N-[[(2R)-oxolan-2-yl]methyl]-6-phenylpyrimidin-4-amine has a molecular weight of 255.32 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 1408931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).