4-N-(4-ethylcyclohexyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine

C16H28N4 — CID 80803017

IUPAC4-N-(4-ethylcyclohexyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1NC1CCC(CC)CC1
InChIInChI=1S/C16H28N4/c1-4-6-14-15(17-3)18-11-19-16(14)20-13-9-7-12(5-2)8-10-13/h11-13H,4-10H2,1-3H3,(H2,17,18,19,20)
InChIKeyDJZYWQVYKNFAOB-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.85
Rot. Bonds6

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

4-N-(4-ethylcyclohexyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine (PubChem CID 80803017) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-N-(4-ethylcyclohexyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-ethylcyclohexyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
PubChem CID80803017
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name4-N-(4-ethylcyclohexyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1NC1CCC(CC)CC1
InChIInChI=1S/C16H28N4/c1-4-6-14-15(17-3)18-11-19-16(14)20-13-9-7-12(5-2)8-10-13/h11-13H,4-10H2,1-3H3,(H2,17,18,19,20)
InChIKeyDJZYWQVYKNFAOB-UHFFFAOYSA-N
XLogP3.85
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydrazinyl-5-propyl-N-(4-propylcyclohexyl)pyrimidin-4-amine
CID 80901761
4-N-cyclopentyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80770351
4-N-cycloheptyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80771825
4-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80932109
4-N-(2,3-dimethylcyclopentyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80841005
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
4-N-(2,2-dimethylcyclopentyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80850168
4-N-(2,2-dimethylcyclohexyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80850251
N-(4-ethylcyclohexyl)-5-iodopyrimidin-4-amine
CID 66339901
6-chloro-N-(4-ethylcyclohexyl)-5-methylpyrimidin-4-amine
CID 63728973
1-methyl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pyrrolidin-2-one
CID 106258791
5-bromo-4-N-(4-ethylcyclohexyl)pyrimidine-4,6-diamine
CID 114072068

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethylcyclohexyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-ethylcyclohexyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine (CID 80803017) is 4-N-(4-ethylcyclohexyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-ethylcyclohexyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-ethylcyclohexyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine is CCCc1c(NC)ncnc1NC1CCC(CC)CC1.
What is the InChIKey of 4-N-(4-ethylcyclohexyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine?
The InChIKey is DJZYWQVYKNFAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-6-14-15(17-3)18-11-19-16(14)20-13-9-7-12(5-2)8-10-13/h11-13H,4-10H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-(4-ethylcyclohexyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine?
4-N-(4-ethylcyclohexyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethylcyclohexyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80803017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).