4-N-[2-(furan-2-yl)ethyl]-5-methyl-2-propylpyrimidine-4,6-diamine

C14H20N4O — CID 80987278

IUPAC4-N-[2-(furan-2-yl)ethyl]-5-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(NCCc2ccco2)n1
InChIInChI=1S/C14H20N4O/c1-3-5-12-17-13(15)10(2)14(18-12)16-8-7-11-6-4-9-19-11/h4,6,9H,3,5,7-8H2,1-2H3,(H3,15,16,17,18)
InChIKeyXMEOSNAWPZPBJQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.57
Rot. Bonds6

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

4-N-[2-(furan-2-yl)ethyl]-5-methyl-2-propylpyrimidine-4,6-diamine (PubChem CID 80987278) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-N-[2-(furan-2-yl)ethyl]-5-methyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(furan-2-yl)ethyl]-5-methyl-2-propylpyrimidine-4,6-diamine
PubChem CID80987278
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-N-[2-(furan-2-yl)ethyl]-5-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(NCCc2ccco2)n1
InChIInChI=1S/C14H20N4O/c1-3-5-12-17-13(15)10(2)14(18-12)16-8-7-11-6-4-9-19-11/h4,6,9H,3,5,7-8H2,1-2H3,(H3,15,16,17,18)
InChIKeyXMEOSNAWPZPBJQ-UHFFFAOYSA-N
XLogP2.57
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(furan-2-yl)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80941818
6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80990415
5-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80991865
5-methyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine
CID 80981770
N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 80995311
4-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]butanamide
CID 80994095
N-[2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 80993418
5-methyl-4-N-(2-phenylpropyl)-2-propylpyrimidine-4,6-diamine
CID 104592591
5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-propylpyrimidine-4,6-diamine
CID 80983070
2-tert-butyl-4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80980729
3,5-dichloro-6-N-[2-(furan-2-yl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 102756901
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106343532

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(furan-2-yl)ethyl]-5-methyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(furan-2-yl)ethyl]-5-methyl-2-propylpyrimidine-4,6-diamine (CID 80987278) is 4-N-[2-(furan-2-yl)ethyl]-5-methyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(furan-2-yl)ethyl]-5-methyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(furan-2-yl)ethyl]-5-methyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)c(C)c(NCCc2ccco2)n1.
What is the InChIKey of 4-N-[2-(furan-2-yl)ethyl]-5-methyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is XMEOSNAWPZPBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-5-12-17-13(15)10(2)14(18-12)16-8-7-11-6-4-9-19-11/h4,6,9H,3,5,7-8H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 4-N-[2-(furan-2-yl)ethyl]-5-methyl-2-propylpyrimidine-4,6-diamine?
4-N-[2-(furan-2-yl)ethyl]-5-methyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 260.34 g/mol, XLogP of 2.57, 6 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]-5-methyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80987278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).