N-(3,3-dimethylbutyl)-6-piperazin-1-ylpyrimidin-4-amine

C14H25N5 — CID 57394628

IUPACN-(3,3-dimethylbutyl)-6-piperazin-1-ylpyrimidin-4-amine
SMILESCC(C)(C)CCNc1cc(N2CCNCC2)ncn1
InChIInChI=1S/C14H25N5/c1-14(2,3)4-5-16-12-10-13(18-11-17-12)19-8-6-15-7-9-19/h10-11,15H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyKKIURXWIHOQZCK-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.73
Rot. Bonds4

About N-(3,3-dimethylbutyl)-6-piperazin-1-ylpyrimidin-4-amine

N-(3,3-dimethylbutyl)-6-piperazin-1-ylpyrimidin-4-amine (PubChem CID 57394628) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-6-piperazin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-6-piperazin-1-ylpyrimidin-4-amine
PubChem CID57394628
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC NameN-(3,3-dimethylbutyl)-6-piperazin-1-ylpyrimidin-4-amine
SMILESCC(C)(C)CCNc1cc(N2CCNCC2)ncn1
InChIInChI=1S/C14H25N5/c1-14(2,3)4-5-16-12-10-13(18-11-17-12)19-8-6-15-7-9-19/h10-11,15H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyKKIURXWIHOQZCK-UHFFFAOYSA-N
XLogP1.73
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-6-piperazin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(3,3-dimethylbutyl)-6-piperazin-1-ylpyrimidin-4-amine (CID 57394628) is N-(3,3-dimethylbutyl)-6-piperazin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(3,3-dimethylbutyl)-6-piperazin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(3,3-dimethylbutyl)-6-piperazin-1-ylpyrimidin-4-amine is CC(C)(C)CCNc1cc(N2CCNCC2)ncn1.
What is the InChIKey of N-(3,3-dimethylbutyl)-6-piperazin-1-ylpyrimidin-4-amine?
The InChIKey is KKIURXWIHOQZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-14(2,3)4-5-16-12-10-13(18-11-17-12)19-8-6-15-7-9-19/h10-11,15H,4-9H2,1-3H3,(H,16,17,18).
What are the key properties of N-(3,3-dimethylbutyl)-6-piperazin-1-ylpyrimidin-4-amine?
N-(3,3-dimethylbutyl)-6-piperazin-1-ylpyrimidin-4-amine has a molecular weight of 263.39 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-6-piperazin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 57394628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).