4-(4,4-dimethylazepan-1-yl)-N-propylpyrimidin-2-amine

C15H26N4 — CID 80843521

IUPAC4-(4,4-dimethylazepan-1-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(N2CCCC(C)(C)CC2)n1
InChIInChI=1S/C15H26N4/c1-4-9-16-14-17-10-6-13(18-14)19-11-5-7-15(2,3)8-12-19/h6,10H,4-5,7-9,11-12H2,1-3H3,(H,16,17,18)
InChIKeyICPRULNPUZFVJH-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.32
Rot. Bonds4

About 4-(4,4-dimethylazepan-1-yl)-N-propylpyrimidin-2-amine

4-(4,4-dimethylazepan-1-yl)-N-propylpyrimidin-2-amine (PubChem CID 80843521) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-(4,4-dimethylazepan-1-yl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4,4-dimethylazepan-1-yl)-N-propylpyrimidin-2-amine
PubChem CID80843521
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-(4,4-dimethylazepan-1-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(N2CCCC(C)(C)CC2)n1
InChIInChI=1S/C15H26N4/c1-4-9-16-14-17-10-6-13(18-14)19-11-5-7-15(2,3)8-12-19/h6,10H,4-5,7-9,11-12H2,1-3H3,(H,16,17,18)
InChIKeyICPRULNPUZFVJH-UHFFFAOYSA-N
XLogP3.32
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80784615
N-butyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112882993
4-(4,4-dimethylpiperidin-1-yl)-N-propylpyridin-2-amine
CID 113367796
N-propyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 80757346
4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80835435
4-(4-benzylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 112881929
4-(3,3-diethylpyrrolidin-1-yl)-N-ethylpyrimidin-2-amine
CID 80854955
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propylpyrimidin-2-amine
CID 80805920
N-pentyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898903
N-(2-methylpropyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883334
4-(3,3-dimethylpiperidin-1-yl)-N-propylpyridin-2-amine
CID 113367862
N-ethyl-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-amine
CID 80836906

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylazepan-1-yl)-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(4,4-dimethylazepan-1-yl)-N-propylpyrimidin-2-amine (CID 80843521) is 4-(4,4-dimethylazepan-1-yl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(4,4-dimethylazepan-1-yl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(4,4-dimethylazepan-1-yl)-N-propylpyrimidin-2-amine is CCCNc1nccc(N2CCCC(C)(C)CC2)n1.
What is the InChIKey of 4-(4,4-dimethylazepan-1-yl)-N-propylpyrimidin-2-amine?
The InChIKey is ICPRULNPUZFVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-4-9-16-14-17-10-6-13(18-14)19-11-5-7-15(2,3)8-12-19/h6,10H,4-5,7-9,11-12H2,1-3H3,(H,16,17,18).
What are the key properties of 4-(4,4-dimethylazepan-1-yl)-N-propylpyrimidin-2-amine?
4-(4,4-dimethylazepan-1-yl)-N-propylpyrimidin-2-amine has a molecular weight of 262.40 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylazepan-1-yl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80843521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).