2-N-(oxolan-2-ylmethyl)-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine

C18H24N4O — CID 112932649

IUPAC2-N-(oxolan-2-ylmethyl)-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)Nc1cc(-c2ccccc2)nc(NCC2CCCO2)n1
InChIInChI=1S/C18H24N4O/c1-13(2)20-17-11-16(14-7-4-3-5-8-14)21-18(22-17)19-12-15-9-6-10-23-15/h3-5,7-8,11,13,15H,6,9-10,12H2,1-2H3,(H2,19,20,21,22)
InChIKeyCPHODLQVJUQAOR-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.55
Rot. Bonds6

About 2-N-(oxolan-2-ylmethyl)-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine

2-N-(oxolan-2-ylmethyl)-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 112932649) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-N-(oxolan-2-ylmethyl)-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(oxolan-2-ylmethyl)-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID112932649
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-N-(oxolan-2-ylmethyl)-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)Nc1cc(-c2ccccc2)nc(NCC2CCCO2)n1
InChIInChI=1S/C18H24N4O/c1-13(2)20-17-11-16(14-7-4-3-5-8-14)21-18(22-17)19-12-15-9-6-10-23-15/h3-5,7-8,11,13,15H,6,9-10,12H2,1-2H3,(H2,19,20,21,22)
InChIKeyCPHODLQVJUQAOR-UHFFFAOYSA-N
XLogP3.55
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-benzyl-2-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935698
4-N-[2-(dimethylamino)ethyl]-2-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935690
2-N-[2-(dimethylamino)ethyl]-4-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935599
4-N-(2-fluorophenyl)-2-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935750
4-N-(oxolan-2-ylmethyl)-6-phenyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112935622
2-N-[3-(dimethylamino)propyl]-4-N-[[(2R)-oxolan-2-yl]methyl]-6-phenylpyrimidine-2,4-diamine
CID 124749031
2-N-(2,6-dimethylphenyl)-4-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935652
2-N-(3,4-dimethylphenyl)-4-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935650
2-N-(4-methylphenyl)-4-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935644
2-N-(4-methoxyphenyl)-4-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935671
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112934822
2-[[4-(oxolan-2-ylmethylamino)-6-phenylpyrimidin-2-yl]amino]benzonitrile
CID 112935683

Frequently Asked Questions

What is the IUPAC name of 2-N-(oxolan-2-ylmethyl)-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(oxolan-2-ylmethyl)-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine (CID 112932649) is 2-N-(oxolan-2-ylmethyl)-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(oxolan-2-ylmethyl)-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(oxolan-2-ylmethyl)-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine is CC(C)Nc1cc(-c2ccccc2)nc(NCC2CCCO2)n1.
What is the InChIKey of 2-N-(oxolan-2-ylmethyl)-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is CPHODLQVJUQAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13(2)20-17-11-16(14-7-4-3-5-8-14)21-18(22-17)19-12-15-9-6-10-23-15/h3-5,7-8,11,13,15H,6,9-10,12H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 2-N-(oxolan-2-ylmethyl)-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
2-N-(oxolan-2-ylmethyl)-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 312.42 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(oxolan-2-ylmethyl)-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112932649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).