6-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-4,5,6-triamine

C16H17N5O — CID 19146084

IUPAC6-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
SMILESCc1ccc(Nc2ncnc(NCc3ccco3)c2N)cc1
InChIInChI=1S/C16H17N5O/c1-11-4-6-12(7-5-11)21-16-14(17)15(19-10-20-16)18-9-13-3-2-8-22-13/h2-8,10H,9,17H2,1H3,(H2,18,19,20,21)
InChIKeyJVCQIRRBQTVMRG-UHFFFAOYSA-N
MW295.35 g/mol
LogP3.32
Rot. Bonds5

About 6-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-4,5,6-triamine

6-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-4,5,6-triamine (PubChem CID 19146084) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 6-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
PubChem CID19146084
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name6-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
SMILESCc1ccc(Nc2ncnc(NCc3ccco3)c2N)cc1
InChIInChI=1S/C16H17N5O/c1-11-4-6-12(7-5-11)21-16-14(17)15(19-10-20-16)18-9-13-3-2-8-22-13/h2-8,10H,9,17H2,1H3,(H2,18,19,20,21)
InChIKeyJVCQIRRBQTVMRG-UHFFFAOYSA-N
XLogP3.32
TPSA89.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,5,6-triamine
CID 19146076
6-N-(furan-2-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19146156
1-[3-[[5-amino-6-(furan-2-ylmethylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547437
4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80766445
6-N-(furan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
CID 19136939
4-N-(furan-2-ylmethyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5,6-triamine
CID 19142538
4-N-(2,5-dimethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 19142691
6-N-[(2-chlorophenyl)methyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 19146169
4-N-(furan-2-ylmethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455196
4-N-(5-chloro-2-methoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22546010
N-(furan-2-ylmethyl)-3-(4-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359688
4-N-(furan-2-ylmethyl)-6-imidazol-1-ylpyrimidine-4,5-diamine
CID 19146187

Frequently Asked Questions

What is the IUPAC name of 6-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-4,5,6-triamine (CID 19146084) is 6-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-4,5,6-triamine is Cc1ccc(Nc2ncnc(NCc3ccco3)c2N)cc1.
What is the InChIKey of 6-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is JVCQIRRBQTVMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-11-4-6-12(7-5-11)21-16-14(17)15(19-10-20-16)18-9-13-3-2-8-22-13/h2-8,10H,9,17H2,1H3,(H2,18,19,20,21).
What are the key properties of 6-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-4,5,6-triamine?
6-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 295.35 g/mol, XLogP of 3.32, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19146084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).