4-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)butanamide

C18H22N4O — CID 90544865

IUPAC4-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)butanamide
SMILESO=C(CCCc1ccccc1)Nc1cc(N2CCCC2)ncn1
InChIInChI=1S/C18H22N4O/c23-18(10-6-9-15-7-2-1-3-8-15)21-16-13-17(20-14-19-16)22-11-4-5-12-22/h1-3,7-8,13-14H,4-6,9-12H2,(H,19,20,21,23)
InChIKeySAUFYMKZTCILNT-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.04
Rot. Bonds6

About 4-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)butanamide

4-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)butanamide (PubChem CID 90544865) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)butanamide.

Molecular Properties

Compound Name4-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)butanamide
PubChem CID90544865
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name4-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)butanamide
SMILESO=C(CCCc1ccccc1)Nc1cc(N2CCCC2)ncn1
InChIInChI=1S/C18H22N4O/c23-18(10-6-9-15-7-2-1-3-8-15)21-16-13-17(20-14-19-16)22-11-4-5-12-22/h1-3,7-8,13-14H,4-6,9-12H2,(H,19,20,21,23)
InChIKeySAUFYMKZTCILNT-UHFFFAOYSA-N
XLogP3.04
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-phenylpropanamide
CID 90543791
N-[2-oxo-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 90544511
1-phenyl-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544742
2-phenylmethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122327629
2-(4-chlorophenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
CID 90544473
2-(4-phenylphenyl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide
CID 90545188
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylsulfanylpropanamide
CID 90543746
2-(4-methoxyphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide
CID 90544868
N-(4-bromo-2-pyridinyl)-4-phenylbutanamide
CID 102674174
N-(6-piperidin-1-ylpyrimidin-4-yl)pyrimidine-2-carboxamide
CID 90544711
6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine
CID 112857039

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)butanamide?
The IUPAC name of 4-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)butanamide (CID 90544865) is 4-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)butanamide.
What is the SMILES notation for 4-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)butanamide?
The canonical SMILES for 4-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)butanamide is O=C(CCCc1ccccc1)Nc1cc(N2CCCC2)ncn1.
What is the InChIKey of 4-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)butanamide?
The InChIKey is SAUFYMKZTCILNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-18(10-6-9-15-7-2-1-3-8-15)21-16-13-17(20-14-19-16)22-11-4-5-12-22/h1-3,7-8,13-14H,4-6,9-12H2,(H,19,20,21,23).
What are the key properties of 4-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)butanamide?
4-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)butanamide has a molecular weight of 310.40 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)butanamide is sourced from PubChem (CID 90544865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).