N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylpropanamide

C18H23N5O — CID 90543791

IUPACN-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylpropanamide
SMILESCN1CCN(c2cc(NC(=O)CCc3ccccc3)ncn2)CC1
InChIInChI=1S/C18H23N5O/c1-22-9-11-23(12-10-22)17-13-16(19-14-20-17)21-18(24)8-7-15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H,19,20,21,24)
InChIKeyBNACSTAEQIOFTN-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.80
Rot. Bonds5

About N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylpropanamide

N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylpropanamide (PubChem CID 90543791) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylpropanamide
PubChem CID90543791
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylpropanamide
SMILESCN1CCN(c2cc(NC(=O)CCc3ccccc3)ncn2)CC1
InChIInChI=1S/C18H23N5O/c1-22-9-11-23(12-10-22)17-13-16(19-14-20-17)21-18(24)8-7-15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H,19,20,21,24)
InChIKeyBNACSTAEQIOFTN-UHFFFAOYSA-N
XLogP1.80
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-morpholin-4-ylpyrimidin-4-yl)-3-phenylpropanamide
CID 90544169
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylsulfanylpropanamide
CID 90543746
4-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)butanamide
CID 90544865
1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylurea
CID 90544020
2-(2-methoxyphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide
CID 90543826
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrimidine-2-carboxamide
CID 90543989
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-phenoxypropanamide
CID 90543811
2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543726
1-[2-(4-methoxyphenyl)ethyl]-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90544075
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]propanamide
CID 90545435
2-cyclohexyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide
CID 90543700
2-methoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543765

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylpropanamide?
The IUPAC name of N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylpropanamide (CID 90543791) is N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylpropanamide?
The canonical SMILES for N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylpropanamide is CN1CCN(c2cc(NC(=O)CCc3ccccc3)ncn2)CC1.
What is the InChIKey of N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylpropanamide?
The InChIKey is BNACSTAEQIOFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-22-9-11-23(12-10-22)17-13-16(19-14-20-17)21-18(24)8-7-15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H,19,20,21,24).
What are the key properties of N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylpropanamide?
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylpropanamide has a molecular weight of 325.42 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 90543791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).