6-N,5-dimethyl-4-N-(2-methylcycloheptyl)-2-propylpyrimidine-4,6-diamine

C17H30N4 — CID 80992645

IUPAC6-N,5-dimethyl-4-N-(2-methylcycloheptyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)c(C)c(NC2CCCCCC2C)n1
InChIInChI=1S/C17H30N4/c1-5-9-15-20-16(18-4)13(3)17(21-15)19-14-11-8-6-7-10-12(14)2/h12,14H,5-11H2,1-4H3,(H2,18,19,20,21)
InChIKeyRSQFNZASMVALBE-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.16
Rot. Bonds5

About 6-N,5-dimethyl-4-N-(2-methylcycloheptyl)-2-propylpyrimidine-4,6-diamine

6-N,5-dimethyl-4-N-(2-methylcycloheptyl)-2-propylpyrimidine-4,6-diamine (PubChem CID 80992645) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 6-N,5-dimethyl-4-N-(2-methylcycloheptyl)-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-dimethyl-4-N-(2-methylcycloheptyl)-2-propylpyrimidine-4,6-diamine
PubChem CID80992645
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name6-N,5-dimethyl-4-N-(2-methylcycloheptyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)c(C)c(NC2CCCCCC2C)n1
InChIInChI=1S/C17H30N4/c1-5-9-15-20-16(18-4)13(3)17(21-15)19-14-11-8-6-7-10-12(14)2/h12,14H,5-11H2,1-4H3,(H2,18,19,20,21)
InChIKeyRSQFNZASMVALBE-UHFFFAOYSA-N
XLogP4.16
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N,5-dimethyl-4-N-(2-methylcyclopentyl)-2-propylpyrimidine-4,6-diamine
CID 80985581
2-ethyl-6-N,5-dimethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80981209
6-hydrazinyl-5-methyl-N-(2-methylcyclohexyl)-2-propylpyrimidin-4-amine
CID 81001589
6-N-ethyl-5-methyl-4-N-(2-methylcyclopentyl)-2-propylpyrimidine-4,6-diamine
CID 80985469
6-chloro-5-methyl-N-(2-methylcyclohexyl)-2-propylpyrimidin-4-amine
CID 80970319
N-(2,3-dimethylcyclohexyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81000906
2-tert-butyl-6-N,5-dimethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80981493
4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80981730
2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80985130
N,5-dimethyl-6-(2-methylazepan-1-yl)-2-propylpyrimidin-4-amine
CID 80985513
6-chloro-2-ethyl-5-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine
CID 80970511
N-(2,4-dimethylcyclohexyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81005985

Frequently Asked Questions

What is the IUPAC name of 6-N,5-dimethyl-4-N-(2-methylcycloheptyl)-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-dimethyl-4-N-(2-methylcycloheptyl)-2-propylpyrimidine-4,6-diamine (CID 80992645) is 6-N,5-dimethyl-4-N-(2-methylcycloheptyl)-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-dimethyl-4-N-(2-methylcycloheptyl)-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-dimethyl-4-N-(2-methylcycloheptyl)-2-propylpyrimidine-4,6-diamine is CCCc1nc(NC)c(C)c(NC2CCCCCC2C)n1.
What is the InChIKey of 6-N,5-dimethyl-4-N-(2-methylcycloheptyl)-2-propylpyrimidine-4,6-diamine?
The InChIKey is RSQFNZASMVALBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-5-9-15-20-16(18-4)13(3)17(21-15)19-14-11-8-6-7-10-12(14)2/h12,14H,5-11H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 6-N,5-dimethyl-4-N-(2-methylcycloheptyl)-2-propylpyrimidine-4,6-diamine?
6-N,5-dimethyl-4-N-(2-methylcycloheptyl)-2-propylpyrimidine-4,6-diamine has a molecular weight of 290.45 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-dimethyl-4-N-(2-methylcycloheptyl)-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80992645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).