4-N-benzyl-6-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine

C17H18N4O — CID 167864610

IUPAC4-N-benzyl-6-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESc1ccc(CNc2cc(NCCc3ccco3)ncn2)cc1
InChIInChI=1S/C17H18N4O/c1-2-5-14(6-3-1)12-19-17-11-16(20-13-21-17)18-9-8-15-7-4-10-22-15/h1-7,10-11,13H,8-9,12H2,(H2,18,19,20,21)
InChIKeyRXXWPNHSQADQFG-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.34
Rot. Bonds7

About 4-N-benzyl-6-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine

4-N-benzyl-6-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 167864610) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-N-benzyl-6-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-benzyl-6-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID167864610
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name4-N-benzyl-6-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESc1ccc(CNc2cc(NCCc3ccco3)ncn2)cc1
InChIInChI=1S/C17H18N4O/c1-2-5-14(6-3-1)12-19-17-11-16(20-13-21-17)18-9-8-15-7-4-10-22-15/h1-7,10-11,13H,8-9,12H2,(H2,18,19,20,21)
InChIKeyRXXWPNHSQADQFG-UHFFFAOYSA-N
XLogP3.34
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858580
6-N-[2-(2-fluorophenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858566
6-ethoxy-N-[2-(furan-2-yl)ethyl]pyrimidin-4-amine
CID 66328978
6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112858614
4-N-(furan-2-ylmethyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112858549
3-[6-[2-(furan-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91767301
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858579
4-N-benzylpyrimidine-4,6-diamine
CID 3031503
6-N-(3-phenylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112860904
4-N-tert-butyl-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858600
4-N-benzyl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889273
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858581

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-benzyl-6-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine (CID 167864610) is 4-N-benzyl-6-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-benzyl-6-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-benzyl-6-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine is c1ccc(CNc2cc(NCCc3ccco3)ncn2)cc1.
What is the InChIKey of 4-N-benzyl-6-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is RXXWPNHSQADQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-2-5-14(6-3-1)12-19-17-11-16(20-13-21-17)18-9-8-15-7-4-10-22-15/h1-7,10-11,13H,8-9,12H2,(H2,18,19,20,21).
What are the key properties of 4-N-benzyl-6-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine?
4-N-benzyl-6-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 294.36 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 167864610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).