4-N-benzyl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine

C16H16N4O — CID 112889273

IUPAC4-N-benzyl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESc1ccc(CNc2ccnc(NCc3ccco3)n2)cc1
InChIInChI=1S/C16H16N4O/c1-2-5-13(6-3-1)11-18-15-8-9-17-16(20-15)19-12-14-7-4-10-21-14/h1-10H,11-12H2,(H2,17,18,19,20)
InChIKeySFWLHODIEBHEDW-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.29
Rot. Bonds6

About 4-N-benzyl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine

4-N-benzyl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112889273) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-N-benzyl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112889273
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name4-N-benzyl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESc1ccc(CNc2ccnc(NCc3ccco3)n2)cc1
InChIInChI=1S/C16H16N4O/c1-2-5-13(6-3-1)11-18-15-8-9-17-16(20-15)19-12-14-7-4-10-21-14/h1-10H,11-12H2,(H2,17,18,19,20)
InChIKeySFWLHODIEBHEDW-UHFFFAOYSA-N
XLogP3.29
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[(4-fluorophenyl)methyl]-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889108
4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112889409
N-benzyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303247
N-(furan-2-ylmethyl)pyrimidin-2-amine
CID 28514232
4-N-(furan-2-ylmethyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112889206
4-N-benzyl-2-N-butylpyrimidine-2,4-diamine
CID 112883005
4-N-butan-2-yl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112883488
4-N-benzyl-2-N-(furan-2-ylmethyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 768148
4-N-(furan-2-ylmethyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112915129
2-N-(3,4-difluorophenyl)-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889271
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112885539
4-N-(1,3-benzodioxol-5-ylmethyl)-2-N-benzylpyrimidine-2,4-diamine
CID 112889574

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine (CID 112889273) is 4-N-benzyl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine is c1ccc(CNc2ccnc(NCc3ccco3)n2)cc1.
What is the InChIKey of 4-N-benzyl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is SFWLHODIEBHEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-5-13(6-3-1)11-18-15-8-9-17-16(20-15)19-12-14-7-4-10-21-14/h1-10H,11-12H2,(H2,17,18,19,20).
What are the key properties of 4-N-benzyl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine?
4-N-benzyl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 280.33 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112889273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).