4-N-[1-(furan-2-yl)ethyl]-6-N,5-dipropylpyrimidine-4,6-diamine

C16H24N4O — CID 80773789

IUPAC4-N-[1-(furan-2-yl)ethyl]-6-N,5-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC(C)c2ccco2)c1CCC
InChIInChI=1S/C16H24N4O/c1-4-7-13-15(17-9-5-2)18-11-19-16(13)20-12(3)14-8-6-10-21-14/h6,8,10-12H,4-5,7,9H2,1-3H3,(H2,17,18,19,20)
InChIKeyYTGMDMZCULBGLC-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.02
Rot. Bonds8

About 4-N-[1-(furan-2-yl)ethyl]-6-N,5-dipropylpyrimidine-4,6-diamine

4-N-[1-(furan-2-yl)ethyl]-6-N,5-dipropylpyrimidine-4,6-diamine (PubChem CID 80773789) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-N-[1-(furan-2-yl)ethyl]-6-N,5-dipropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(furan-2-yl)ethyl]-6-N,5-dipropylpyrimidine-4,6-diamine
PubChem CID80773789
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name4-N-[1-(furan-2-yl)ethyl]-6-N,5-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC(C)c2ccco2)c1CCC
InChIInChI=1S/C16H24N4O/c1-4-7-13-15(17-9-5-2)18-11-19-16(13)20-12(3)14-8-6-10-21-14/h6,8,10-12H,4-5,7,9H2,1-3H3,(H2,17,18,19,20)
InChIKeyYTGMDMZCULBGLC-UHFFFAOYSA-N
XLogP4.02
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N,5-dipropyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80805122
N-[1-(furan-2-yl)ethyl]-6-propylpyrimidin-4-amine
CID 61239949
N-[1-(furan-2-yl)ethyl]-2-(propylamino)pyridine-3-sulfonamide
CID 62145541
(2S)-3-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80848746
6-ethoxy-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidin-4-amine
CID 66327459
methyl 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80802366
6-chloro-N-[1-(furan-2-yl)ethyl]-5-propan-2-ylpyrimidin-4-amine
CID 63728421
6-hydrazinyl-N-[1-(5-methylfuran-2-yl)ethyl]-5-propylpyrimidin-4-amine
CID 80897937
6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine
CID 80831818
N-[(1S)-1-(furan-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 9031350
N-[(1R)-1-(furan-2-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 41131806
4-N-[1-(furan-2-yl)ethyl]-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80781855

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(furan-2-yl)ethyl]-6-N,5-dipropylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(furan-2-yl)ethyl]-6-N,5-dipropylpyrimidine-4,6-diamine (CID 80773789) is 4-N-[1-(furan-2-yl)ethyl]-6-N,5-dipropylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(furan-2-yl)ethyl]-6-N,5-dipropylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(furan-2-yl)ethyl]-6-N,5-dipropylpyrimidine-4,6-diamine is CCCNc1ncnc(NC(C)c2ccco2)c1CCC.
What is the InChIKey of 4-N-[1-(furan-2-yl)ethyl]-6-N,5-dipropylpyrimidine-4,6-diamine?
The InChIKey is YTGMDMZCULBGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-7-13-15(17-9-5-2)18-11-19-16(13)20-12(3)14-8-6-10-21-14/h6,8,10-12H,4-5,7,9H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-[1-(furan-2-yl)ethyl]-6-N,5-dipropylpyrimidine-4,6-diamine?
4-N-[1-(furan-2-yl)ethyl]-6-N,5-dipropylpyrimidine-4,6-diamine has a molecular weight of 288.39 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(furan-2-yl)ethyl]-6-N,5-dipropylpyrimidine-4,6-diamine is sourced from PubChem (CID 80773789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).