N-(azetidin-3-yl)-6-tert-butyl-2-piperazin-1-ylpyrimidin-4-amine

C15H26N6 — CID 118546939

IUPACN-(azetidin-3-yl)-6-tert-butyl-2-piperazin-1-ylpyrimidin-4-amine
SMILESCC(C)(C)c1cc(NC2CNC2)nc(N2CCNCC2)n1
InChIInChI=1S/C15H26N6/c1-15(2,3)12-8-13(18-11-9-17-10-11)20-14(19-12)21-6-4-16-5-7-21/h8,11,16-17H,4-7,9-10H2,1-3H3,(H,18,19,20)
InChIKeyOFXXBRQEMCMORG-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.57
Rot. Bonds3

About N-(azetidin-3-yl)-6-tert-butyl-2-piperazin-1-ylpyrimidin-4-amine

N-(azetidin-3-yl)-6-tert-butyl-2-piperazin-1-ylpyrimidin-4-amine (PubChem CID 118546939) has the molecular formula C15H26N6 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(azetidin-3-yl)-6-tert-butyl-2-piperazin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-6-tert-butyl-2-piperazin-1-ylpyrimidin-4-amine
PubChem CID118546939
Molecular FormulaC15H26N6
Molecular Weight290.41 g/mol
Exact Mass290.22
IUPAC NameN-(azetidin-3-yl)-6-tert-butyl-2-piperazin-1-ylpyrimidin-4-amine
SMILESCC(C)(C)c1cc(NC2CNC2)nc(N2CCNCC2)n1
InChIInChI=1S/C15H26N6/c1-15(2,3)12-8-13(18-11-9-17-10-11)20-14(19-12)21-6-4-16-5-7-21/h8,11,16-17H,4-7,9-10H2,1-3H3,(H,18,19,20)
InChIKeyOFXXBRQEMCMORG-UHFFFAOYSA-N
XLogP0.57
TPSA65.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;ethane
CID 144986482
6-tert-butyl-N-cyclobutyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 130260837
2-(azetidin-1-yl)-N-(azetidin-3-yl)-6-propan-2-ylpyrimidin-4-amine
CID 144655724
1-[4-[4-tert-butyl-6-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one
CID 118546942
N-(oxetan-3-yl)-2-piperazin-1-yl-6-propan-2-ylpyrimidin-4-amine
CID 118617228
N-(azetidin-3-yl)-6-tert-butylpyridazin-3-amine
CID 116970920
N-(azetidin-3-yl)-6-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 90245413
6-tert-butyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine
CID 66740280
1-[4-[4-(azetidin-3-ylamino)-6-propan-2-ylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 90245510
N-tert-butyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 19428533
N-(azetidin-3-yl)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
CID 144655908
N-(azetidin-3-yl)-5-tert-butylpyridin-2-amine
CID 107875130

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-6-tert-butyl-2-piperazin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(azetidin-3-yl)-6-tert-butyl-2-piperazin-1-ylpyrimidin-4-amine (CID 118546939) is N-(azetidin-3-yl)-6-tert-butyl-2-piperazin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(azetidin-3-yl)-6-tert-butyl-2-piperazin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(azetidin-3-yl)-6-tert-butyl-2-piperazin-1-ylpyrimidin-4-amine is CC(C)(C)c1cc(NC2CNC2)nc(N2CCNCC2)n1.
What is the InChIKey of N-(azetidin-3-yl)-6-tert-butyl-2-piperazin-1-ylpyrimidin-4-amine?
The InChIKey is OFXXBRQEMCMORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c1-15(2,3)12-8-13(18-11-9-17-10-11)20-14(19-12)21-6-4-16-5-7-21/h8,11,16-17H,4-7,9-10H2,1-3H3,(H,18,19,20).
What are the key properties of N-(azetidin-3-yl)-6-tert-butyl-2-piperazin-1-ylpyrimidin-4-amine?
N-(azetidin-3-yl)-6-tert-butyl-2-piperazin-1-ylpyrimidin-4-amine has a molecular weight of 290.41 g/mol, XLogP of 0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-6-tert-butyl-2-piperazin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 118546939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).