2-N-(2-methoxyphenyl)-6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine

C17H22N4O2 — CID 112912513

IUPAC2-N-(2-methoxyphenyl)-6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(C)cc(NCC2CCCO2)n1
InChIInChI=1S/C17H22N4O2/c1-12-10-16(18-11-13-6-5-9-23-13)21-17(19-12)20-14-7-3-4-8-15(14)22-2/h3-4,7-8,10,13H,5-6,9,11H2,1-2H3,(H2,18,19,20,21)
InChIKeyBXAJPWCIJQLLFX-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.13
Rot. Bonds6

About 2-N-(2-methoxyphenyl)-6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine

2-N-(2-methoxyphenyl)-6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112912513) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-N-(2-methoxyphenyl)-6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyphenyl)-6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112912513
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-N-(2-methoxyphenyl)-6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(C)cc(NCC2CCCO2)n1
InChIInChI=1S/C17H22N4O2/c1-12-10-16(18-11-13-6-5-9-23-13)21-17(19-12)20-14-7-3-4-8-15(14)22-2/h3-4,7-8,10,13H,5-6,9,11H2,1-2H3,(H2,18,19,20,21)
InChIKeyBXAJPWCIJQLLFX-UHFFFAOYSA-N
XLogP3.13
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912522
6-methyl-4-N-(oxolan-2-ylmethyl)-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112912524
6-methyl-4-N-(oxolan-2-ylmethyl)-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112912558
4-N-(2-methoxyphenyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857301
methyl 4-chloro-3-[[4-methyl-6-(oxolan-2-ylmethylamino)pyrimidin-2-yl]amino]benzoate
CID 112912534
methyl 4-[[4-methyl-6-(oxolan-2-ylmethylamino)pyrimidin-2-yl]amino]benzoate
CID 112912533
2-N-(2-ethoxyphenyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886776
6-methyl-4-N-(oxolan-2-ylmethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912422
2-N-(2,4-dimethoxyphenyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886782
6-methyl-2-N-[(3-methylphenyl)methyl]-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912410
4-N-butyl-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112908202
6-methyl-4-N-(oxolan-2-ylmethyl)-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112912539

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyphenyl)-6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-methoxyphenyl)-6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine (CID 112912513) is 2-N-(2-methoxyphenyl)-6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methoxyphenyl)-6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-methoxyphenyl)-6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine is COc1ccccc1Nc1nc(C)cc(NCC2CCCO2)n1.
What is the InChIKey of 2-N-(2-methoxyphenyl)-6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is BXAJPWCIJQLLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-10-16(18-11-13-6-5-9-23-13)21-17(19-12)20-14-7-3-4-8-15(14)22-2/h3-4,7-8,10,13H,5-6,9,11H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 2-N-(2-methoxyphenyl)-6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
2-N-(2-methoxyphenyl)-6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 314.39 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyphenyl)-6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112912513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).