6-amino-5-[4-(3-cyclopropylbenzoyl)piperazin-1-yl]-1H-pyrimidin-2-one

C18H21N5O2 — CID 167782794

IUPAC6-amino-5-[4-(3-cyclopropylbenzoyl)piperazin-1-yl]-1H-pyrimidin-2-one
SMILESNc1[nH]c(=O)ncc1N1CCN(C(=O)c2cccc(C3CC3)c2)CC1
InChIInChI=1S/C18H21N5O2/c19-16-15(11-20-18(25)21-16)22-6-8-23(9-7-22)17(24)14-3-1-2-13(10-14)12-4-5-12/h1-3,10-12H,4-9H2,(H3,19,20,21,25)
InChIKeyBTNGKPUEJWQZID-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.19
Rot. Bonds3

About 6-amino-5-[4-(3-cyclopropylbenzoyl)piperazin-1-yl]-1H-pyrimidin-2-one

6-amino-5-[4-(3-cyclopropylbenzoyl)piperazin-1-yl]-1H-pyrimidin-2-one (PubChem CID 167782794) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-amino-5-[4-(3-cyclopropylbenzoyl)piperazin-1-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-[4-(3-cyclopropylbenzoyl)piperazin-1-yl]-1H-pyrimidin-2-one
PubChem CID167782794
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name6-amino-5-[4-(3-cyclopropylbenzoyl)piperazin-1-yl]-1H-pyrimidin-2-one
SMILESNc1[nH]c(=O)ncc1N1CCN(C(=O)c2cccc(C3CC3)c2)CC1
InChIInChI=1S/C18H21N5O2/c19-16-15(11-20-18(25)21-16)22-6-8-23(9-7-22)17(24)14-3-1-2-13(10-14)12-4-5-12/h1-3,10-12H,4-9H2,(H3,19,20,21,25)
InChIKeyBTNGKPUEJWQZID-UHFFFAOYSA-N
XLogP1.19
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-pyrazolidin-4-ylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 133108023
4-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxylic acid
CID 177244727
[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-[3-[(3S)-piperidin-3-yl]phenyl]methanone
CID 97192779
(2-amino-4-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 110854415
(3-aminophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 54904602
piperidin-1-yl-(3-piperidin-3-ylphenyl)methanone;hydrochloride
CID 172654432
3-[(3S)-1-(quinoxaline-6-carbonyl)piperidin-3-yl]benzoic acid
CID 97209819
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 23587339
[4-(1H-imidazol-2-yl)piperidin-1-yl]-(3-pyrrolidin-3-ylphenyl)methanone
CID 70720892
(4-methylphenyl)-[(3S)-3-[3-(4-phenylpiperazine-1-carbonyl)phenyl]piperidin-1-yl]methanone
CID 92872433
[4-(1H-imidazol-2-yl)piperidin-1-yl]-[3-[(3R)-pyrrolidin-3-yl]phenyl]methanone
CID 95861977
(4-ethylphenyl)-[(3S)-3-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]piperidin-1-yl]methanone
CID 92872419

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[4-(3-cyclopropylbenzoyl)piperazin-1-yl]-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-5-[4-(3-cyclopropylbenzoyl)piperazin-1-yl]-1H-pyrimidin-2-one (CID 167782794) is 6-amino-5-[4-(3-cyclopropylbenzoyl)piperazin-1-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-[4-(3-cyclopropylbenzoyl)piperazin-1-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-5-[4-(3-cyclopropylbenzoyl)piperazin-1-yl]-1H-pyrimidin-2-one is Nc1[nH]c(=O)ncc1N1CCN(C(=O)c2cccc(C3CC3)c2)CC1.
What is the InChIKey of 6-amino-5-[4-(3-cyclopropylbenzoyl)piperazin-1-yl]-1H-pyrimidin-2-one?
The InChIKey is BTNGKPUEJWQZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c19-16-15(11-20-18(25)21-16)22-6-8-23(9-7-22)17(24)14-3-1-2-13(10-14)12-4-5-12/h1-3,10-12H,4-9H2,(H3,19,20,21,25).
What are the key properties of 6-amino-5-[4-(3-cyclopropylbenzoyl)piperazin-1-yl]-1H-pyrimidin-2-one?
6-amino-5-[4-(3-cyclopropylbenzoyl)piperazin-1-yl]-1H-pyrimidin-2-one has a molecular weight of 339.40 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[4-(3-cyclopropylbenzoyl)piperazin-1-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 167782794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).