4-N-cyclopropyl-4-N,5-dipropylpyrimidine-4,6-diamine

C13H22N4 — CID 80774677

IUPAC4-N-cyclopropyl-4-N,5-dipropylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1N(CCC)C1CC1
InChIInChI=1S/C13H22N4/c1-3-5-11-12(14)15-9-16-13(11)17(8-4-2)10-6-7-10/h9-10H,3-8H2,1-2H3,(H2,14,15,16)
InChIKeyHKELPCYDDYSILS-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.39
Rot. Bonds6

About 4-N-cyclopropyl-4-N,5-dipropylpyrimidine-4,6-diamine

4-N-cyclopropyl-4-N,5-dipropylpyrimidine-4,6-diamine (PubChem CID 80774677) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-N-cyclopropyl-4-N,5-dipropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-4-N,5-dipropylpyrimidine-4,6-diamine
PubChem CID80774677
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-N-cyclopropyl-4-N,5-dipropylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1N(CCC)C1CC1
InChIInChI=1S/C13H22N4/c1-3-5-11-12(14)15-9-16-13(11)17(8-4-2)10-6-7-10/h9-10H,3-8H2,1-2H3,(H2,14,15,16)
InChIKeyHKELPCYDDYSILS-UHFFFAOYSA-N
XLogP2.39
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopropyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80774560
2-[(6-amino-5-ethylpyrimidin-4-yl)-cyclopropylamino]ethanol
CID 80810039
3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102875507
3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclopropylamino]propanenitrile
CID 80811362
4-N-methyl-4-N-(oxan-4-yl)-5-propylpyrimidine-4,6-diamine
CID 80789465
4-N-cyclopentyl-5-ethyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 80854897
4-N-butyl-4-N-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 80799335
4-N-(cyclopropylmethyl)-4-N-propan-2-yl-5-propylpyrimidine-4,6-diamine
CID 80821292
2-[cyclopentyl-(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanol
CID 80904987
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80833913
4-N-(2-methoxyethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80795825
1-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114953995

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-4-N,5-dipropylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-4-N,5-dipropylpyrimidine-4,6-diamine (CID 80774677) is 4-N-cyclopropyl-4-N,5-dipropylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-4-N,5-dipropylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-4-N,5-dipropylpyrimidine-4,6-diamine is CCCc1c(N)ncnc1N(CCC)C1CC1.
What is the InChIKey of 4-N-cyclopropyl-4-N,5-dipropylpyrimidine-4,6-diamine?
The InChIKey is HKELPCYDDYSILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-5-11-12(14)15-9-16-13(11)17(8-4-2)10-6-7-10/h9-10H,3-8H2,1-2H3,(H2,14,15,16).
What are the key properties of 4-N-cyclopropyl-4-N,5-dipropylpyrimidine-4,6-diamine?
4-N-cyclopropyl-4-N,5-dipropylpyrimidine-4,6-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-4-N,5-dipropylpyrimidine-4,6-diamine is sourced from PubChem (CID 80774677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).