4-N-[(2,5-dimethylphenyl)methyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine

C17H22N4O — CID 119061126

IUPAC4-N-[(2,5-dimethylphenyl)methyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine
SMILESCc1ccc(C)c(CNc2cc(C3CCOC3)nc(N)n2)c1
InChIInChI=1S/C17H22N4O/c1-11-3-4-12(2)14(7-11)9-19-16-8-15(20-17(18)21-16)13-5-6-22-10-13/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H3,18,19,20,21)
InChIKeyBFDOBKJACHVGOH-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.79
Rot. Bonds4

About 4-N-[(2,5-dimethylphenyl)methyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine

4-N-[(2,5-dimethylphenyl)methyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine (PubChem CID 119061126) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-N-[(2,5-dimethylphenyl)methyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2,5-dimethylphenyl)methyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine
PubChem CID119061126
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name4-N-[(2,5-dimethylphenyl)methyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine
SMILESCc1ccc(C)c(CNc2cc(C3CCOC3)nc(N)n2)c1
InChIInChI=1S/C17H22N4O/c1-11-3-4-12(2)14(7-11)9-19-16-8-15(20-17(18)21-16)13-5-6-22-10-13/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H3,18,19,20,21)
InChIKeyBFDOBKJACHVGOH-UHFFFAOYSA-N
XLogP2.79
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(5-methylfuran-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126428680
4-N-[(5,6-dimethyl-3-pyridinyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 125178207
4-N-[(4-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126439514
4-N-[(4-methoxyphenyl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126439515
4-N-(1,3-benzodioxol-5-ylmethyl)-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 125160881
4-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126447837
4-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126452686
6-[(3R)-oxolan-3-yl]-4-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine
CID 126430229
4-[[[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]methyl]benzenesulfonamide
CID 126449866
4-[[[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide
CID 119072706
4-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine
CID 118771530
4-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126434940

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2,5-dimethylphenyl)methyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(2,5-dimethylphenyl)methyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine (CID 119061126) is 4-N-[(2,5-dimethylphenyl)methyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(2,5-dimethylphenyl)methyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(2,5-dimethylphenyl)methyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine is Cc1ccc(C)c(CNc2cc(C3CCOC3)nc(N)n2)c1.
What is the InChIKey of 4-N-[(2,5-dimethylphenyl)methyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine?
The InChIKey is BFDOBKJACHVGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-11-3-4-12(2)14(7-11)9-19-16-8-15(20-17(18)21-16)13-5-6-22-10-13/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H3,18,19,20,21).
What are the key properties of 4-N-[(2,5-dimethylphenyl)methyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine?
4-N-[(2,5-dimethylphenyl)methyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine has a molecular weight of 298.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2,5-dimethylphenyl)methyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 119061126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).