2-amino-4-[2-anilinoethyl(methyl)amino]-6-(furan-2-yl)pyrimidine-5-carbonitrile

C18H18N6O — CID 70079385

IUPAC2-amino-4-[2-anilinoethyl(methyl)amino]-6-(furan-2-yl)pyrimidine-5-carbonitrile
SMILESCN(CCNc1ccccc1)c1nc(N)nc(-c2ccco2)c1C#N
InChIInChI=1S/C18H18N6O/c1-24(10-9-21-13-6-3-2-4-7-13)17-14(12-19)16(22-18(20)23-17)15-8-5-11-25-15/h2-8,11,21H,9-10H2,1H3,(H2,20,22,23)
InChIKeyFCABNEPCGWQQHD-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.74
Rot. Bonds6

About 2-amino-4-[2-anilinoethyl(methyl)amino]-6-(furan-2-yl)pyrimidine-5-carbonitrile

2-amino-4-[2-anilinoethyl(methyl)amino]-6-(furan-2-yl)pyrimidine-5-carbonitrile (PubChem CID 70079385) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-amino-4-[2-anilinoethyl(methyl)amino]-6-(furan-2-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[2-anilinoethyl(methyl)amino]-6-(furan-2-yl)pyrimidine-5-carbonitrile
PubChem CID70079385
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name2-amino-4-[2-anilinoethyl(methyl)amino]-6-(furan-2-yl)pyrimidine-5-carbonitrile
SMILESCN(CCNc1ccccc1)c1nc(N)nc(-c2ccco2)c1C#N
InChIInChI=1S/C18H18N6O/c1-24(10-9-21-13-6-3-2-4-7-13)17-14(12-19)16(22-18(20)23-17)15-8-5-11-25-15/h2-8,11,21H,9-10H2,1H3,(H2,20,22,23)
InChIKeyFCABNEPCGWQQHD-UHFFFAOYSA-N
XLogP2.74
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-4-(furan-2-yl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-5-carbonitrile
CID 18507326
2,4-bis(furan-2-yl)-6-(2-phenylethylamino)pyrimidine-5-carbonitrile
CID 70096176
2-amino-4-(furan-2-yl)-6-(3-phenylprop-2-enoxy)pyrimidine-5-carbonitrile
CID 69289830
2-amino-4-(cyclopentylamino)-6-(furan-2-yl)pyrimidine-5-carbonitrile;ethane
CID 156716151
2-amino-4-(benzylamino)-6-(3-methylfuran-2-yl)pyrimidine-5-carbonitrile
CID 18507576
5-fluoro-6-(furan-2-yl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 18507317
6-amino-2-(furan-2-yl)pyridine-3-carbonitrile
CID 91097691
2-amino-4-(furan-2-yl)-6-[2-(pyridin-2-ylmethyl)pyrrol-2-yl]pyrimidine-5-carbonitrile
CID 90746040
5-bromo-4,6-bis(furan-2-yl)pyrimidin-2-amine
CID 23020456
ethane;N'-methyl-N,N'-diphenylethane-1,2-diamine
CID 142921032
4-(furan-2-yl)-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile
CID 45028806
8-(furan-2-yl)-3,3-dimethyl-6-(2-phenylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 659403

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-anilinoethyl(methyl)amino]-6-(furan-2-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-[2-anilinoethyl(methyl)amino]-6-(furan-2-yl)pyrimidine-5-carbonitrile (CID 70079385) is 2-amino-4-[2-anilinoethyl(methyl)amino]-6-(furan-2-yl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-[2-anilinoethyl(methyl)amino]-6-(furan-2-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-[2-anilinoethyl(methyl)amino]-6-(furan-2-yl)pyrimidine-5-carbonitrile is CN(CCNc1ccccc1)c1nc(N)nc(-c2ccco2)c1C#N.
What is the InChIKey of 2-amino-4-[2-anilinoethyl(methyl)amino]-6-(furan-2-yl)pyrimidine-5-carbonitrile?
The InChIKey is FCABNEPCGWQQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-24(10-9-21-13-6-3-2-4-7-13)17-14(12-19)16(22-18(20)23-17)15-8-5-11-25-15/h2-8,11,21H,9-10H2,1H3,(H2,20,22,23).
What are the key properties of 2-amino-4-[2-anilinoethyl(methyl)amino]-6-(furan-2-yl)pyrimidine-5-carbonitrile?
2-amino-4-[2-anilinoethyl(methyl)amino]-6-(furan-2-yl)pyrimidine-5-carbonitrile has a molecular weight of 334.38 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-anilinoethyl(methyl)amino]-6-(furan-2-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 70079385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).