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

C15H15N5O — CID 19146076

IUPAC6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,5,6-triamine
SMILESNc1c(NCc2ccco2)ncnc1Nc1ccccc1
InChIInChI=1S/C15H15N5O/c16-13-14(17-9-12-7-4-8-21-12)18-10-19-15(13)20-11-5-2-1-3-6-11/h1-8,10H,9,16H2,(H2,17,18,19,20)
InChIKeyOECHHNSGMUYUQL-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.01
Rot. Bonds5

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

6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,5,6-triamine (PubChem CID 19146076) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,5,6-triamine
PubChem CID19146076
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,5,6-triamine
SMILESNc1c(NCc2ccco2)ncnc1Nc1ccccc1
InChIInChI=1S/C15H15N5O/c16-13-14(17-9-12-7-4-8-21-12)18-10-19-15(13)20-11-5-2-1-3-6-11/h1-8,10H,9,16H2,(H2,17,18,19,20)
InChIKeyOECHHNSGMUYUQL-UHFFFAOYSA-N
XLogP3.01
TPSA89.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
CID 19146084
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
6-N-(furan-2-ylmethyl)-5-nitro-4-N-phenylpyrimidine-4,6-diamine
CID 22528636
6-N-[(2-chlorophenyl)methyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 19146169
6-N-(furan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
CID 19136939
6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112858614
4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80766445
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
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

Frequently Asked Questions

What is the IUPAC name of 6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,5,6-triamine (CID 19146076) is 6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,5,6-triamine is Nc1c(NCc2ccco2)ncnc1Nc1ccccc1.
What is the InChIKey of 6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,5,6-triamine?
The InChIKey is OECHHNSGMUYUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c16-13-14(17-9-12-7-4-8-21-12)18-10-19-15(13)20-11-5-2-1-3-6-11/h1-8,10H,9,16H2,(H2,17,18,19,20).
What are the key properties of 6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,5,6-triamine?
6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,5,6-triamine has a molecular weight of 281.32 g/mol, XLogP of 3.01, 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-phenylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19146076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).