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

C16H24N4O — CID 80941818

IUPAC4-N-[2-(furan-2-yl)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCc2ccco2)nc(CCC)n1
InChIInChI=1S/C16H24N4O/c1-3-6-14-19-15(17-9-4-2)12-16(20-14)18-10-8-13-7-5-11-21-13/h5,7,11-12H,3-4,6,8-10H2,1-2H3,(H2,17,18,19,20)
InChIKeyQDFPYLAGRFAKIE-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.50
Rot. Bonds9

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

4-N-[2-(furan-2-yl)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine (PubChem CID 80941818) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-N-[2-(furan-2-yl)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(furan-2-yl)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine
PubChem CID80941818
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name4-N-[2-(furan-2-yl)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCc2ccco2)nc(CCC)n1
InChIInChI=1S/C16H24N4O/c1-3-6-14-19-15(17-9-4-2)12-16(20-14)18-10-8-13-7-5-11-21-13/h5,7,11-12H,3-4,6,8-10H2,1-2H3,(H2,17,18,19,20)
InChIKeyQDFPYLAGRFAKIE-UHFFFAOYSA-N
XLogP3.50
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-ethyl-4-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80962187
6-N-methyl-4-N,2-dipropylpyrimidine-4,6-diamine
CID 80946214
3,5-dichloro-6-N-[2-(furan-2-yl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 102756901
2-tert-butyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 80960709
4-N-[2-(furan-2-yl)ethyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80987278
5-N-[2-(furan-2-yl)ethyl]-3-N-propylpyridine-3,5-diamine
CID 104533461
2-tert-butyl-N-[2-(furan-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine
CID 80964340
4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80946225
6-ethoxy-N-[2-(furan-2-yl)ethyl]-2-methylpyrimidin-4-amine
CID 66327724
4-N-ethyl-4-N-(furan-2-ylmethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80796536
4-N-[2-(furan-2-yl)ethyl]-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80781292
6-phenyl-N,2-dipropylpyrimidin-4-amine
CID 55193281

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(furan-2-yl)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(furan-2-yl)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine (CID 80941818) is 4-N-[2-(furan-2-yl)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(furan-2-yl)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(furan-2-yl)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine is CCCNc1cc(NCCc2ccco2)nc(CCC)n1.
What is the InChIKey of 4-N-[2-(furan-2-yl)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine?
The InChIKey is QDFPYLAGRFAKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-3-6-14-19-15(17-9-4-2)12-16(20-14)18-10-8-13-7-5-11-21-13/h5,7,11-12H,3-4,6,8-10H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-[2-(furan-2-yl)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine?
4-N-[2-(furan-2-yl)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine has a molecular weight of 288.39 g/mol, XLogP of 3.50, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(furan-2-yl)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine is sourced from PubChem (CID 80941818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).