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

C19H22N4O — CID 112871395

IUPAC4-N-(2-ethyl-6-methylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine
SMILESCCc1cccc(C)c1Nc1cc(NCc2ccco2)nc(C)n1
InChIInChI=1S/C19H22N4O/c1-4-15-8-5-7-13(2)19(15)23-18-11-17(21-14(3)22-18)20-12-16-9-6-10-24-16/h5-11H,4,12H2,1-3H3,(H2,20,21,22,23)
InChIKeyDCCGBNLHTMVUJE-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.60
Rot. Bonds6

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

4-N-(2-ethyl-6-methylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine (PubChem CID 112871395) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-N-(2-ethyl-6-methylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-ethyl-6-methylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine
PubChem CID112871395
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name4-N-(2-ethyl-6-methylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine
SMILESCCc1cccc(C)c1Nc1cc(NCc2ccco2)nc(C)n1
InChIInChI=1S/C19H22N4O/c1-4-15-8-5-7-13(2)19(15)23-18-11-17(21-14(3)22-18)20-12-16-9-6-10-24-16/h5-11H,4,12H2,1-3H3,(H2,20,21,22,23)
InChIKeyDCCGBNLHTMVUJE-UHFFFAOYSA-N
XLogP4.60
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,6-dimethylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine
CID 112871390
4-N-(2-ethylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine
CID 112871392
5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112947425
4-N-(2,6-diethylphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858634
6-N-(furan-2-ylmethyl)-4-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112871420
4-N-(2,6-diethylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 112867244
N'-(2-ethyl-6-methylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54809826
4-N-(1,3-benzodioxol-5-yl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine
CID 112871457
4-N-(2,4-difluorophenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine
CID 112871462
6-(2-ethyl-6-methylanilino)-2-methylpyrimidine-4-carboxylic acid
CID 82306131
6-N-(furan-2-ylmethyl)-2-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
CID 112871463
N-(furan-2-ylmethyl)-2-methyl-6-pyridin-4-ylpyrimidin-4-amine
CID 3657838

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethyl-6-methylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-ethyl-6-methylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine (CID 112871395) is 4-N-(2-ethyl-6-methylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-ethyl-6-methylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-ethyl-6-methylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine is CCc1cccc(C)c1Nc1cc(NCc2ccco2)nc(C)n1.
What is the InChIKey of 4-N-(2-ethyl-6-methylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine?
The InChIKey is DCCGBNLHTMVUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-4-15-8-5-7-13(2)19(15)23-18-11-17(21-14(3)22-18)20-12-16-9-6-10-24-16/h5-11H,4,12H2,1-3H3,(H2,20,21,22,23).
What are the key properties of 4-N-(2-ethyl-6-methylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine?
4-N-(2-ethyl-6-methylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine has a molecular weight of 322.41 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethyl-6-methylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112871395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).