N-(3,3-dimethylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine

C15H27N5 — CID 54754351

IUPACN-(3,3-dimethylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCN1CCN(c2cc(NCCC(C)(C)C)ncn2)CC1
InChIInChI=1S/C15H27N5/c1-15(2,3)5-6-16-13-11-14(18-12-17-13)20-9-7-19(4)8-10-20/h11-12H,5-10H2,1-4H3,(H,16,17,18)
InChIKeyDLKAQKCVCFAVIS-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.08
Rot. Bonds4

About N-(3,3-dimethylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine

N-(3,3-dimethylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 54754351) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID54754351
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC NameN-(3,3-dimethylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCN1CCN(c2cc(NCCC(C)(C)C)ncn2)CC1
InChIInChI=1S/C15H27N5/c1-15(2,3)5-6-16-13-11-14(18-12-17-13)20-9-7-19(4)8-10-20/h11-12H,5-10H2,1-4H3,(H,16,17,18)
InChIKeyDLKAQKCVCFAVIS-UHFFFAOYSA-N
XLogP2.08
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(3,3-dimethylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine (CID 54754351) is N-(3,3-dimethylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(3,3-dimethylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(3,3-dimethylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine is CN1CCN(c2cc(NCCC(C)(C)C)ncn2)CC1.
What is the InChIKey of N-(3,3-dimethylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is DLKAQKCVCFAVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-15(2,3)5-6-16-13-11-14(18-12-17-13)20-9-7-19(4)8-10-20/h11-12H,5-10H2,1-4H3,(H,16,17,18).
What are the key properties of N-(3,3-dimethylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
N-(3,3-dimethylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 277.42 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 54754351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).