4-N-(2-cyclopropylethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine

C13H22N4 — CID 80847611

IUPAC4-N-(2-cyclopropylethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCCC2CC2)c1C
InChIInChI=1S/C13H22N4/c1-3-7-14-12-10(2)13(17-9-16-12)15-8-6-11-4-5-11/h9,11H,3-8H2,1-2H3,(H2,14,15,16,17)
InChIKeyXEDHAPINPGHSRH-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.82
Rot. Bonds7

About 4-N-(2-cyclopropylethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine

4-N-(2-cyclopropylethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80847611) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-N-(2-cyclopropylethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-cyclopropylethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80847611
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-N-(2-cyclopropylethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCCC2CC2)c1C
InChIInChI=1S/C13H22N4/c1-3-7-14-12-10(2)13(17-9-16-12)15-8-6-11-4-5-11/h9,11H,3-8H2,1-2H3,(H2,14,15,16,17)
InChIKeyXEDHAPINPGHSRH-UHFFFAOYSA-N
XLogP2.82
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-cyclopentylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80791299
6-hydrazinyl-5-methyl-N-[2-(4-methylcyclohexyl)ethyl]pyrimidin-4-amine
CID 80913396
5-methyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80767962
4-N-(2-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80790570
3-[[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80855486
4-N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80791601
N-(2-cyclopropylethyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80924360
4-N-(cyclopropylmethyl)-5-methyl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80799239
4-N-(4-ethylcyclohexyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80779258
N-(2-cyclobutylethyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 103748708
4-N-(2-cyclopropylethyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80992927
6-(2-cyclopropylethoxy)-5-methoxy-N-propylpyrimidin-4-amine
CID 114158214

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-cyclopropylethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-cyclopropylethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine (CID 80847611) is 4-N-(2-cyclopropylethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-cyclopropylethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-cyclopropylethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(NCCC2CC2)c1C.
What is the InChIKey of 4-N-(2-cyclopropylethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is XEDHAPINPGHSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-7-14-12-10(2)13(17-9-16-12)15-8-6-11-4-5-11/h9,11H,3-8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-N-(2-cyclopropylethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine?
4-N-(2-cyclopropylethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-cyclopropylethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80847611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).