N-[3-[(4-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide

C16H19N5O — CID 112883935

IUPACN-[3-[(4-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nccc(N3CCCC3)n2)c1
InChIInChI=1S/C16H19N5O/c1-12(22)18-13-5-4-6-14(11-13)19-16-17-8-7-15(20-16)21-9-2-3-10-21/h4-8,11H,2-3,9-10H2,1H3,(H,18,22)(H,17,19,20)
InChIKeyHRTWYQOLHGUXHO-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.78
Rot. Bonds4

About N-[3-[(4-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide

N-[3-[(4-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide (PubChem CID 112883935) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[3-[(4-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide
PubChem CID112883935
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-[3-[(4-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nccc(N3CCCC3)n2)c1
InChIInChI=1S/C16H19N5O/c1-12(22)18-13-5-4-6-14(11-13)19-16-17-8-7-15(20-16)21-9-2-3-10-21/h4-8,11H,2-3,9-10H2,1H3,(H,18,22)(H,17,19,20)
InChIKeyHRTWYQOLHGUXHO-UHFFFAOYSA-N
XLogP2.78
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(4-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 112884566
methyl 3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]benzoate
CID 112901585
N-[3-[[4-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 109297792
N-[3-[[6-(azepan-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112864653
4-(azepan-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 112901537
N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883986
methyl 3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]amino]benzoate
CID 112898963
1-[2-(3-propan-2-yloxyanilino)pyrimidin-4-yl]piperidine-3-carboxamide
CID 123959112
1-[3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]ethanone
CID 112910099
N-[3-[[4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112926107
N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898748
N-[3-[[4-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112887387

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide?
The IUPAC name of N-[3-[(4-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide (CID 112883935) is N-[3-[(4-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(4-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[3-[(4-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2nccc(N3CCCC3)n2)c1.
What is the InChIKey of N-[3-[(4-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide?
The InChIKey is HRTWYQOLHGUXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-12(22)18-13-5-4-6-14(11-13)19-16-17-8-7-15(20-16)21-9-2-3-10-21/h4-8,11H,2-3,9-10H2,1H3,(H,18,22)(H,17,19,20).
What are the key properties of N-[3-[(4-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide?
N-[3-[(4-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide has a molecular weight of 297.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 112883935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).