N-cyclopropyl-1-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]piperazine-2-carboxamide

C17H25N5O3 — CID 56892505

IUPACN-cyclopropyl-1-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]piperazine-2-carboxamide
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)N1CCNCC1C(=O)NC1CC1
InChIInChI=1S/C17H25N5O3/c1-10-13(11(2)20-17(25)19-10)5-6-15(23)22-8-7-18-9-14(22)16(24)21-12-3-4-12/h12,14,18H,3-9H2,1-2H3,(H,21,24)(H,19,20,25)
InChIKeyUWBYQBATCYQCTM-UHFFFAOYSA-N
MW347.42 g/mol
LogP-0.60
Rot. Bonds5

About N-cyclopropyl-1-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]piperazine-2-carboxamide

N-cyclopropyl-1-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]piperazine-2-carboxamide (PubChem CID 56892505) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-cyclopropyl-1-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]piperazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]piperazine-2-carboxamide
PubChem CID56892505
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC NameN-cyclopropyl-1-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]piperazine-2-carboxamide
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)N1CCNCC1C(=O)NC1CC1
InChIInChI=1S/C17H25N5O3/c1-10-13(11(2)20-17(25)19-10)5-6-15(23)22-8-7-18-9-14(22)16(24)21-12-3-4-12/h12,14,18H,3-9H2,1-2H3,(H,21,24)(H,19,20,25)
InChIKeyUWBYQBATCYQCTM-UHFFFAOYSA-N
XLogP-0.60
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N~2~-[3-(2-hydroxy-4,6-dimethylpyrimidin-5-yl)propanoyl]-N~1~,N~1~-dimethylalaninamide
CID 56746306
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]acetamide
CID 9405707
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 9405708
N-[2-(dimethylamino)-2-oxoethyl]-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide
CID 9406635
8-[3-(2-hydroxy-4,6-dimethylpyrimidin-5-yl)propanoyl]-2-methyltetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4(3H,6H)-dione
CID 50948452
3-(2-Hydroxy-4,6-dimethylpyrimidin-5-YL)-N-[2-(1-methylpiperidin-3-YL)ethyl]propanamide
CID 56716214
4,6-Dimethyl-5-{3-[2-(4-morpholinylcarbonyl)-1-piperazinyl]-3-oxopropyl}-2-pyrimidinol
CID 56886566
N-{(1S*,2R*)-2-[(1-ethyl-4-piperidinyl)amino]cyclobutyl}-3-(2-hydroxy-4,6-dimethyl-5-pyrimidinyl)propanamide
CID 56892726
4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyrimidin-2-one
CID 60692369
4,6-dimethyl-5-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1H-pyrimidin-2-one
CID 60693479
5-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
CID 63602404
5-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
CID 63606192

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]piperazine-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]piperazine-2-carboxamide (CID 56892505) is N-cyclopropyl-1-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]piperazine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]piperazine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]piperazine-2-carboxamide is Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCNCC1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-1-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]piperazine-2-carboxamide?
The InChIKey is UWBYQBATCYQCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-10-13(11(2)20-17(25)19-10)5-6-15(23)22-8-7-18-9-14(22)16(24)21-12-3-4-12/h12,14,18H,3-9H2,1-2H3,(H,21,24)(H,19,20,25).
What are the key properties of N-cyclopropyl-1-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]piperazine-2-carboxamide?
N-cyclopropyl-1-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]piperazine-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of -0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]piperazine-2-carboxamide is sourced from PubChem (CID 56892505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).