3-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-amine

C17H23N5 — CID 82166145

IUPAC3-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-amine
SMILESNCCCN1CCN(c2cc(-c3ccccc3)ncn2)CC1
InChIInChI=1S/C17H23N5/c18-7-4-8-21-9-11-22(12-10-21)17-13-16(19-14-20-17)15-5-2-1-3-6-15/h1-3,5-6,13-14H,4,7-12,18H2
InChIKeySUBUXNWNUPXJMW-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.61
Rot. Bonds5

About 3-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-amine

3-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-amine (PubChem CID 82166145) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 3-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-amine
PubChem CID82166145
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name3-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-amine
SMILESNCCCN1CCN(c2cc(-c3ccccc3)ncn2)CC1
InChIInChI=1S/C17H23N5/c18-7-4-8-21-9-11-22(12-10-21)17-13-16(19-14-20-17)15-5-2-1-3-6-15/h1-3,5-6,13-14H,4,7-12,18H2
InChIKeySUBUXNWNUPXJMW-UHFFFAOYSA-N
XLogP1.61
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethanamine
CID 82166143
4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
CID 58273412
3-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-amine
CID 61225491
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyrimidine
CID 35271779
4-(6-phenylpyrimidin-4-yl)morpholine
CID 1082059
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
3-[4-(6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 61225492
N-methyl-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
CID 122281848
4-(4-benzylsulfonylpiperazin-1-yl)-6-phenylpyrimidine
CID 20933367
5-methyl-3-[[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 139023471
3-(4-methylphenyl)-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 108775200
3-[4-(6-methylsulfanylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 106972383

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-amine (CID 82166145) is 3-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-amine is NCCCN1CCN(c2cc(-c3ccccc3)ncn2)CC1.
What is the InChIKey of 3-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-amine?
The InChIKey is SUBUXNWNUPXJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c18-7-4-8-21-9-11-22(12-10-21)17-13-16(19-14-20-17)15-5-2-1-3-6-15/h1-3,5-6,13-14H,4,7-12,18H2.
What are the key properties of 3-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-amine?
3-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-amine has a molecular weight of 297.41 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 82166145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).