2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine

C15H22N4O — CID 80800955

IUPAC2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)c2ccc(C)o2)nc(C)n1
InChIInChI=1S/C15H22N4O/c1-5-8-16-14-9-15(19-12(4)18-14)17-11(3)13-7-6-10(2)20-13/h6-7,9,11H,5,8H2,1-4H3,(H2,16,17,18,19)
InChIKeyNXMOVOXWDYSIIZ-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.68
Rot. Bonds6

About 2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine

2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80800955) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
PubChem CID80800955
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)c2ccc(C)o2)nc(C)n1
InChIInChI=1S/C15H22N4O/c1-5-8-16-14-9-15(19-12(4)18-14)17-11(3)13-7-6-10(2)20-13/h6-7,9,11H,5,8H2,1-4H3,(H2,16,17,18,19)
InChIKeyNXMOVOXWDYSIIZ-UHFFFAOYSA-N
XLogP3.68
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80783678
2-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80824404
4-N-[1-(3-chlorophenyl)ethyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80784552
2-N-ethyl-6-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80801180
3-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180781
6-N-ethyl-2,5-dimethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80800277
2-methyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine
CID 80831566
4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 80852528
2-methyl-4-N-(1-phenylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80798243
6-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine
CID 112724390
6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100
4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80783031

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine (CID 80800955) is 2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NC(C)c2ccc(C)o2)nc(C)n1.
What is the InChIKey of 2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is NXMOVOXWDYSIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-5-8-16-14-9-15(19-12(4)18-14)17-11(3)13-7-6-10(2)20-13/h6-7,9,11H,5,8H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine?
2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 274.37 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80800955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).