N-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine

C20H29N5 — CID 112936368

IUPACN-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
SMILESCC(C)CCNc1cc(-c2ccccc2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C20H29N5/c1-16(2)9-10-21-19-15-18(17-7-5-4-6-8-17)22-20(23-19)25-13-11-24(3)12-14-25/h4-8,15-16H,9-14H2,1-3H3,(H,21,22,23)
InChIKeyVKZHOKDRLUQFMU-UHFFFAOYSA-N
MW339.49 g/mol
LogP3.35
Rot. Bonds6

About N-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine

N-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine (PubChem CID 112936368) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
PubChem CID112936368
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC NameN-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
SMILESCC(C)CCNc1cc(-c2ccccc2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C20H29N5/c1-16(2)9-10-21-19-15-18(17-7-5-4-6-8-17)22-20(23-19)25-13-11-24(3)12-14-25/h4-8,15-16H,9-14H2,1-3H3,(H,21,22,23)
InChIKeyVKZHOKDRLUQFMU-UHFFFAOYSA-N
XLogP3.35
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936341
N-cyclopropyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112932936
N-(2-methylpropyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112933703
2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112936354
2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112936355
6-phenyl-2-(4-phenylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 112932417
6-phenyl-N-propyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112932430
2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-6-phenylpyrimidin-4-amine
CID 112933707
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936397
N-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936399
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)-6-phenylpyrimidin-4-amine
CID 112933735
N-pentyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112934269

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine?
The IUPAC name of N-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine (CID 112936368) is N-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine.
What is the SMILES notation for N-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine?
The canonical SMILES for N-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine is CC(C)CCNc1cc(-c2ccccc2)nc(N2CCN(C)CC2)n1.
What is the InChIKey of N-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine?
The InChIKey is VKZHOKDRLUQFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5/c1-16(2)9-10-21-19-15-18(17-7-5-4-6-8-17)22-20(23-19)25-13-11-24(3)12-14-25/h4-8,15-16H,9-14H2,1-3H3,(H,21,22,23).
What are the key properties of N-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine?
N-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine has a molecular weight of 339.49 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 112936368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).