4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine

C12H21N5 — CID 80788881

IUPAC4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine
SMILESCN(c1cc(N)nc(N)n1)C1CCCCCC1
InChIInChI=1S/C12H21N5/c1-17(9-6-4-2-3-5-7-9)11-8-10(13)15-12(14)16-11/h8-9H,2-7H2,1H3,(H4,13,14,15,16)
InChIKeyKSYPWAZGSUYHIF-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.80
Rot. Bonds2

About 4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine

4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine (PubChem CID 80788881) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine
PubChem CID80788881
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine
SMILESCN(c1cc(N)nc(N)n1)C1CCCCCC1
InChIInChI=1S/C12H21N5/c1-17(9-6-4-2-3-5-7-9)11-8-10(13)15-12(14)16-11/h8-9H,2-7H2,1H3,(H4,13,14,15,16)
InChIKeyKSYPWAZGSUYHIF-UHFFFAOYSA-N
XLogP1.80
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4,6-triamine
CID 80799744
4-N-cycloheptyl-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80899128
4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-2,4,6-triamine
CID 80761777
2-tert-butyl-4-N-cycloheptyl-4-N-methylpyrimidine-4,6-diamine
CID 80967623
4-N-cyclopentyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80855037
4-N-cyclopentyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 115915296
2-[cyclohexyl-(2,6-diaminopyrimidin-4-yl)amino]ethanol
CID 80810818
4-N-cyclopropyl-2-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80933693
4-N,4-N-dimethylpyrimidine-2,4,6-triamine
CID 23423800
N-cycloheptyl-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114566983
2-N-cycloheptyl-2-N-methylquinoline-2,6-diamine
CID 43613779
6-hydrazinyl-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 80927990

Frequently Asked Questions

What is the IUPAC name of 4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine (CID 80788881) is 4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine is CN(c1cc(N)nc(N)n1)C1CCCCCC1.
What is the InChIKey of 4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine?
The InChIKey is KSYPWAZGSUYHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-17(9-6-4-2-3-5-7-9)11-8-10(13)15-12(14)16-11/h8-9H,2-7H2,1H3,(H4,13,14,15,16).
What are the key properties of 4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine?
4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine has a molecular weight of 235.33 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80788881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).