2-cyclopropyl-4-N-(1-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine

C17H28N4 — CID 80967565

IUPAC2-cyclopropyl-4-N-(1-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC2(C)CCCCC2)nc(C2CC2)n1
InChIInChI=1S/C17H28N4/c1-3-11-18-14-12-15(20-16(19-14)13-7-8-13)21-17(2)9-5-4-6-10-17/h12-13H,3-11H2,1-2H3,(H2,18,19,20,21)
InChIKeyJWOPFJZMTROSNS-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.31
Rot. Bonds6

About 2-cyclopropyl-4-N-(1-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine

2-cyclopropyl-4-N-(1-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80967565) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(1-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(1-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80967565
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name2-cyclopropyl-4-N-(1-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC2(C)CCCCC2)nc(C2CC2)n1
InChIInChI=1S/C17H28N4/c1-3-11-18-14-12-15(20-16(19-14)13-7-8-13)21-17(2)9-5-4-6-10-17/h12-13H,3-11H2,1-2H3,(H2,18,19,20,21)
InChIKeyJWOPFJZMTROSNS-UHFFFAOYSA-N
XLogP4.31
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-N-(3-ethylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80959196
2-cyclohexyl-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 63486677
6-chloro-2-cyclopropyl-N-(1-methylcyclobutyl)pyrimidin-4-amine
CID 115875734
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
2-cyclopropyl-4-N-(3-propoxypropyl)-6-N-propylpyrimidine-4,6-diamine
CID 82941617
3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366436
2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-6-N-propylpyrimidine-4,6-diamine
CID 80966841
6-cyclopropyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 63486835
2-cyclopropyl-4-N,4-N-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80955746
2-cyclopropyl-4-N-(3-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80960990
2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
CID 106343157
2-cyclopropyl-4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80968154

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(1-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(1-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine (CID 80967565) is 2-cyclopropyl-4-N-(1-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(1-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(1-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NC2(C)CCCCC2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N-(1-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is JWOPFJZMTROSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-3-11-18-14-12-15(20-16(19-14)13-7-8-13)21-17(2)9-5-4-6-10-17/h12-13H,3-11H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 2-cyclopropyl-4-N-(1-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(1-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 288.44 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-(1-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80967565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).