N-(2,2-dimethylpropyl)-4-piperazin-1-ylpyrimidin-2-amine

C13H23N5 — CID 58227381

IUPACN-(2,2-dimethylpropyl)-4-piperazin-1-ylpyrimidin-2-amine
SMILESCC(C)(C)CNc1nccc(N2CCNCC2)n1
InChIInChI=1S/C13H23N5/c1-13(2,3)10-16-12-15-5-4-11(17-12)18-8-6-14-7-9-18/h4-5,14H,6-10H2,1-3H3,(H,15,16,17)
InChIKeyMRVWJRIQMZIMNY-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.34
Rot. Bonds3

About N-(2,2-dimethylpropyl)-4-piperazin-1-ylpyrimidin-2-amine

N-(2,2-dimethylpropyl)-4-piperazin-1-ylpyrimidin-2-amine (PubChem CID 58227381) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-piperazin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-piperazin-1-ylpyrimidin-2-amine
PubChem CID58227381
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN-(2,2-dimethylpropyl)-4-piperazin-1-ylpyrimidin-2-amine
SMILESCC(C)(C)CNc1nccc(N2CCNCC2)n1
InChIInChI=1S/C13H23N5/c1-13(2,3)10-16-12-15-5-4-11(17-12)18-8-6-14-7-9-18/h4-5,14H,6-10H2,1-3H3,(H,15,16,17)
InChIKeyMRVWJRIQMZIMNY-UHFFFAOYSA-N
XLogP1.34
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Pyrimidinyl)piperazine
CID 88747
2,4-Diaminopyrimidine
CID 67431
2-Methylpyrimidin-4-amine
CID 295763
1-(2-Pyrimidyl)piperazine hydrochloride
CID 2818457
6-(4-Methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 753256
N4-Methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 25129179
8-Aza-5-azoniaspiro(4.5)decane, 8-(2-pyrimidinyl)-, bromide (1:1)
CID 657505
N-methylpyrimidin-4-amine
CID 519971
2-Piperazinylpyrimidine dihydrochloride
CID 11680272
N1-(4-(azepan-1-yl)pyrimidin-2-yl)ethane-1,2-diamine
CID 10198583
4-(Piperazin-1-yl)pyrimidin-2-amine
CID 19969682
4-(4-Methylpiperazin-1-YL)pyrimidin-2-amine
CID 25128833

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-piperazin-1-ylpyrimidin-2-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-4-piperazin-1-ylpyrimidin-2-amine (CID 58227381) is N-(2,2-dimethylpropyl)-4-piperazin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-piperazin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-piperazin-1-ylpyrimidin-2-amine is CC(C)(C)CNc1nccc(N2CCNCC2)n1.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-piperazin-1-ylpyrimidin-2-amine?
The InChIKey is MRVWJRIQMZIMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-13(2,3)10-16-12-15-5-4-11(17-12)18-8-6-14-7-9-18/h4-5,14H,6-10H2,1-3H3,(H,15,16,17).
What are the key properties of N-(2,2-dimethylpropyl)-4-piperazin-1-ylpyrimidin-2-amine?
N-(2,2-dimethylpropyl)-4-piperazin-1-ylpyrimidin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-piperazin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 58227381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).