2-N-(furan-2-ylmethyl)-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine

C19H22N4O — CID 112933719

IUPAC2-N-(furan-2-ylmethyl)-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
SMILESCC(C)CNc1cc(-c2ccccc2)nc(NCc2ccco2)n1
InChIInChI=1S/C19H22N4O/c1-14(2)12-20-18-11-17(15-7-4-3-5-8-15)22-19(23-18)21-13-16-9-6-10-24-16/h3-11,14H,12-13H2,1-2H3,(H2,20,21,22,23)
InChIKeyKKMQDGKHWDAQFE-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.42
Rot. Bonds7

About 2-N-(furan-2-ylmethyl)-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine

2-N-(furan-2-ylmethyl)-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine (PubChem CID 112933719) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-N-(furan-2-ylmethyl)-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(furan-2-ylmethyl)-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
PubChem CID112933719
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-N-(furan-2-ylmethyl)-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
SMILESCC(C)CNc1cc(-c2ccccc2)nc(NCc2ccco2)n1
InChIInChI=1S/C19H22N4O/c1-14(2)12-20-18-11-17(15-7-4-3-5-8-15)22-19(23-18)21-13-16-9-6-10-24-16/h3-11,14H,12-13H2,1-2H3,(H2,20,21,22,23)
InChIKeyKKMQDGKHWDAQFE-UHFFFAOYSA-N
XLogP4.42
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932798
4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932522
4-N-[3-(dimethylamino)propyl]-2-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112936076
2-N-[3-(dimethylamino)propyl]-4-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112936163
4-N-(furan-2-ylmethyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112936733
4-N-(2-methylpropyl)-2-N,6-diphenylpyrimidine-2,4-diamine
CID 112933760
4-N-(2-methylpropyl)-6-phenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112933732
2-N-(4-chlorophenyl)-4-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112936767
2-N-(2-fluorophenyl)-4-N-(furan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112936763
4-N-cyclopropyl-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112932921
N-(furan-2-ylmethyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine
CID 3314360
N-(furan-2-ylmethyl)-2-methyl-6-pyridin-4-ylpyrimidin-4-amine
CID 3657838

Frequently Asked Questions

What is the IUPAC name of 2-N-(furan-2-ylmethyl)-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(furan-2-ylmethyl)-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine (CID 112933719) is 2-N-(furan-2-ylmethyl)-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(furan-2-ylmethyl)-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(furan-2-ylmethyl)-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine is CC(C)CNc1cc(-c2ccccc2)nc(NCc2ccco2)n1.
What is the InChIKey of 2-N-(furan-2-ylmethyl)-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine?
The InChIKey is KKMQDGKHWDAQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-14(2)12-20-18-11-17(15-7-4-3-5-8-15)22-19(23-18)21-13-16-9-6-10-24-16/h3-11,14H,12-13H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 2-N-(furan-2-ylmethyl)-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine?
2-N-(furan-2-ylmethyl)-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine has a molecular weight of 322.41 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(furan-2-ylmethyl)-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112933719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).