4-N-(2,6-dimethylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine

C18H20N4O — CID 112871390

IUPAC4-N-(2,6-dimethylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(NCc2ccco2)cc(Nc2c(C)cccc2C)n1
InChIInChI=1S/C18H20N4O/c1-12-6-4-7-13(2)18(12)22-17-10-16(20-14(3)21-17)19-11-15-8-5-9-23-15/h4-10H,11H2,1-3H3,(H2,19,20,21,22)
InChIKeyVOGNWBBJSPHXBD-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.35
Rot. Bonds5

About 4-N-(2,6-dimethylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine

4-N-(2,6-dimethylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine (PubChem CID 112871390) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-N-(2,6-dimethylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,6-dimethylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine
PubChem CID112871390
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name4-N-(2,6-dimethylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(NCc2ccco2)cc(Nc2c(C)cccc2C)n1
InChIInChI=1S/C18H20N4O/c1-12-6-4-7-13(2)18(12)22-17-10-16(20-14(3)21-17)19-11-15-8-5-9-23-15/h4-10H,11H2,1-3H3,(H2,19,20,21,22)
InChIKeyVOGNWBBJSPHXBD-UHFFFAOYSA-N
XLogP4.35
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-ethyl-6-methylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine
CID 112871395
6-N-(furan-2-ylmethyl)-4-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112871420
4-N-(2-ethylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine
CID 112871392
4-N-(2,4-difluorophenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine
CID 112871462
6-N-(furan-2-ylmethyl)-2-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
CID 112871463
4-N-(1,3-benzodioxol-5-yl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine
CID 112871457
6-N-(furan-2-ylmethyl)-2-methyl-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine
CID 112871445
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-2-methylpyrimidin-4-amine
CID 112871354
N-(furan-2-ylmethyl)-2-methyl-6-pyridin-4-ylpyrimidin-4-amine
CID 3657838
6-(furan-2-ylmethylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109367982
3-N-(furan-2-ylmethyl)-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112947428
2-N-(2,6-difluorophenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
CID 112915282

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-dimethylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,6-dimethylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine (CID 112871390) is 4-N-(2,6-dimethylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,6-dimethylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,6-dimethylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine is Cc1nc(NCc2ccco2)cc(Nc2c(C)cccc2C)n1.
What is the InChIKey of 4-N-(2,6-dimethylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine?
The InChIKey is VOGNWBBJSPHXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12-6-4-7-13(2)18(12)22-17-10-16(20-14(3)21-17)19-11-15-8-5-9-23-15/h4-10H,11H2,1-3H3,(H2,19,20,21,22).
What are the key properties of 4-N-(2,6-dimethylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine?
4-N-(2,6-dimethylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine has a molecular weight of 308.38 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-dimethylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112871390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).