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

C15H22N4O — CID 80833191

IUPAC2,5-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(NCc2ccc(C)o2)c1C
InChIInChI=1S/C15H22N4O/c1-5-8-16-14-11(3)15(19-12(4)18-14)17-9-13-7-6-10(2)20-13/h6-7H,5,8-9H2,1-4H3,(H2,16,17,18,19)
InChIKeyCEXDFBUPKSZDQA-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.43
Rot. Bonds6

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

2,5-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80833191) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2,5-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2,5-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
PubChem CID80833191
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2,5-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(NCc2ccc(C)o2)c1C
InChIInChI=1S/C15H22N4O/c1-5-8-16-14-11(3)15(19-12(4)18-14)17-9-13-7-6-10(2)20-13/h6-7H,5,8-9H2,1-4H3,(H2,16,17,18,19)
InChIKeyCEXDFBUPKSZDQA-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N,5-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine
CID 80832158
2-methyl-N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine
CID 154596531
6-(2,2-dimethylhydrazinyl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 83025046
2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80769669
2,5-dimethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784732
6-chloro-2-cyclopropyl-5-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine
CID 80972164
2,5-dimethyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80828474
5-ethyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine
CID 80833185
4-[[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384261
4-N-butan-2-yl-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80766465
2,5-dimethyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80791800
6-N-ethyl-2,5-dimethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80800277

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2,5-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine (CID 80833191) is 2,5-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2,5-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2,5-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine is CCCNc1nc(C)nc(NCc2ccc(C)o2)c1C.
What is the InChIKey of 2,5-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is CEXDFBUPKSZDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-5-8-16-14-11(3)15(19-12(4)18-14)17-9-13-7-6-10(2)20-13/h6-7H,5,8-9H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 2,5-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine?
2,5-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 274.37 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80833191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).