2-(4-phenylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine

C17H23N5 — CID 112882012

IUPAC2-(4-phenylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)Nc1ccnc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C17H23N5/c1-14(2)19-16-8-9-18-17(20-16)22-12-10-21(11-13-22)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3,(H,18,19,20)
InChIKeyWJIKDSFYKMHUBA-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.62
Rot. Bonds4

About 2-(4-phenylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine

2-(4-phenylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine (PubChem CID 112882012) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine
PubChem CID112882012
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name2-(4-phenylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)Nc1ccnc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C17H23N5/c1-14(2)19-16-8-9-18-17(20-16)22-12-10-21(11-13-22)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3,(H,18,19,20)
InChIKeyWJIKDSFYKMHUBA-UHFFFAOYSA-N
XLogP2.62
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylpyrimidin-4-amine
CID 112882024
[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]hydrazine
CID 94672786
N-(2-ethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896496
2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112888381
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyrimidin-4-amine
CID 112901716
2-(4-benzylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112890533
N-(3,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896527
2-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzonitrile
CID 112896544
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-4-amine
CID 112890544
N-(2-methoxy-5-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896522
N-(2,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896526
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine
CID 112932687

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(4-phenylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine (CID 112882012) is 2-(4-phenylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-phenylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(4-phenylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine is CC(C)Nc1ccnc(N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of 2-(4-phenylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is WJIKDSFYKMHUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-14(2)19-16-8-9-18-17(20-16)22-12-10-21(11-13-22)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(4-phenylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine?
2-(4-phenylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 297.41 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 112882012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).