6-N-(oxolan-2-ylmethyl)-4-N-(1-phenylethyl)pyrimidine-4,6-diamine

C17H22N4O — CID 112857200

IUPAC6-N-(oxolan-2-ylmethyl)-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
SMILESCC(Nc1cc(NCC2CCCO2)ncn1)c1ccccc1
InChIInChI=1S/C17H22N4O/c1-13(14-6-3-2-4-7-14)21-17-10-16(19-12-20-17)18-11-15-8-5-9-22-15/h2-4,6-7,10,12-13,15H,5,8-9,11H2,1H3,(H2,18,19,20,21)
InChIKeyHLVVPBWSZHTSGT-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.24
Rot. Bonds6

About 6-N-(oxolan-2-ylmethyl)-4-N-(1-phenylethyl)pyrimidine-4,6-diamine

6-N-(oxolan-2-ylmethyl)-4-N-(1-phenylethyl)pyrimidine-4,6-diamine (PubChem CID 112857200) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 6-N-(oxolan-2-ylmethyl)-4-N-(1-phenylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(oxolan-2-ylmethyl)-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
PubChem CID112857200
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name6-N-(oxolan-2-ylmethyl)-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
SMILESCC(Nc1cc(NCC2CCCO2)ncn1)c1ccccc1
InChIInChI=1S/C17H22N4O/c1-13(14-6-3-2-4-7-14)21-17-10-16(19-12-20-17)18-11-15-8-5-9-22-15/h2-4,6-7,10,12-13,15H,5,8-9,11H2,1H3,(H2,18,19,20,21)
InChIKeyHLVVPBWSZHTSGT-UHFFFAOYSA-N
XLogP3.24
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857188
4-N-(oxolan-2-ylmethyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112857213
N-[[(2R)-oxolan-2-yl]methyl]-6-phenylpyrimidin-4-amine
CID 1408931
4-N-(oxolan-2-ylmethyl)-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112857246
2-(oxolan-2-ylmethylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109167544
6-N-cyclopropyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112854699
6-N-(oxolan-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112857312
4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112857277
4-N-(2-methoxyphenyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857301
4-N-(oxolan-2-ylmethyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112857212
4-N-(4-ethylphenyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857276
4-N-(4-methoxyphenyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857303

Frequently Asked Questions

What is the IUPAC name of 6-N-(oxolan-2-ylmethyl)-4-N-(1-phenylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(oxolan-2-ylmethyl)-4-N-(1-phenylethyl)pyrimidine-4,6-diamine (CID 112857200) is 6-N-(oxolan-2-ylmethyl)-4-N-(1-phenylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(oxolan-2-ylmethyl)-4-N-(1-phenylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(oxolan-2-ylmethyl)-4-N-(1-phenylethyl)pyrimidine-4,6-diamine is CC(Nc1cc(NCC2CCCO2)ncn1)c1ccccc1.
What is the InChIKey of 6-N-(oxolan-2-ylmethyl)-4-N-(1-phenylethyl)pyrimidine-4,6-diamine?
The InChIKey is HLVVPBWSZHTSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13(14-6-3-2-4-7-14)21-17-10-16(19-12-20-17)18-11-15-8-5-9-22-15/h2-4,6-7,10,12-13,15H,5,8-9,11H2,1H3,(H2,18,19,20,21).
What are the key properties of 6-N-(oxolan-2-ylmethyl)-4-N-(1-phenylethyl)pyrimidine-4,6-diamine?
6-N-(oxolan-2-ylmethyl)-4-N-(1-phenylethyl)pyrimidine-4,6-diamine has a molecular weight of 298.39 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(oxolan-2-ylmethyl)-4-N-(1-phenylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112857200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).