N-(3-methylbutyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine

C17H25N7 — CID 112863365

IUPACN-(3-methylbutyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCC(C)CCNc1cc(N2CCN(c3ncccn3)CC2)ncn1
InChIInChI=1S/C17H25N7/c1-14(2)4-7-18-15-12-16(22-13-21-15)23-8-10-24(11-9-23)17-19-5-3-6-20-17/h3,5-6,12-14H,4,7-11H2,1-2H3,(H,18,21,22)
InChIKeyIJNVPGFPWHDRGX-UHFFFAOYSA-N
MW327.44 g/mol
LogP2.05
Rot. Bonds6

About N-(3-methylbutyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine

N-(3-methylbutyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112863365) has the molecular formula C17H25N7 and a molecular weight of 327.44 g/mol. Its IUPAC name is N-(3-methylbutyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methylbutyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112863365
Molecular FormulaC17H25N7
Molecular Weight327.44 g/mol
Exact Mass327.22
IUPAC NameN-(3-methylbutyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCC(C)CCNc1cc(N2CCN(c3ncccn3)CC2)ncn1
InChIInChI=1S/C17H25N7/c1-14(2)4-7-18-15-12-16(22-13-21-15)23-8-10-24(11-9-23)17-19-5-3-6-20-17/h3,5-6,12-14H,4,7-11H2,1-2H3,(H,18,21,22)
InChIKeyIJNVPGFPWHDRGX-UHFFFAOYSA-N
XLogP2.05
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80757593
N',N'-dimethyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]propane-1,3-diamine
CID 112857771
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-4-amine
CID 112863075
N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112863983
N-(pyridin-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112860589
4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112855694
N-cycloheptyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863363
6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-4-amine
CID 112863022
N-(pyridin-3-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112860746
6-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-4-amine
CID 58940632
N-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863373
N-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112856705

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(3-methylbutyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine (CID 112863365) is N-(3-methylbutyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(3-methylbutyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(3-methylbutyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine is CC(C)CCNc1cc(N2CCN(c3ncccn3)CC2)ncn1.
What is the InChIKey of N-(3-methylbutyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is IJNVPGFPWHDRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7/c1-14(2)4-7-18-15-12-16(22-13-21-15)23-8-10-24(11-9-23)17-19-5-3-6-20-17/h3,5-6,12-14H,4,7-11H2,1-2H3,(H,18,21,22).
What are the key properties of N-(3-methylbutyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
N-(3-methylbutyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 327.44 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112863365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).