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

C17H25N5O3 — CID 95715594

IUPAC(2S)-N-cyclopropyl-1-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]piperazine-2-carboxamide
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)N1CCNC[C@H]1C(=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)/t14-/m0/s1
InChIKeyUWBYQBATCYQCTM-AWEZNQCLSA-N
MW347.42 g/mol
LogP-0.60
Rot. Bonds5

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

(2S)-N-cyclopropyl-1-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]piperazine-2-carboxamide (PubChem CID 95715594) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-1-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-1-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]piperazine-2-carboxamide
PubChem CID95715594
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name(2S)-N-cyclopropyl-1-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]piperazine-2-carboxamide
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)N1CCNC[C@H]1C(=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)/t14-/m0/s1
InChIKeyUWBYQBATCYQCTM-AWEZNQCLSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-1-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]piperazine-2-carboxamide?
The IUPAC name of (2S)-N-cyclopropyl-1-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]piperazine-2-carboxamide (CID 95715594) is (2S)-N-cyclopropyl-1-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]piperazine-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclopropyl-1-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]piperazine-2-carboxamide?
The canonical SMILES for (2S)-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)N1CCNC[C@H]1C(=O)NC1CC1.
What is the InChIKey of (2S)-N-cyclopropyl-1-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]piperazine-2-carboxamide?
The InChIKey is UWBYQBATCYQCTM-AWEZNQCLSA-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)/t14-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-1-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]piperazine-2-carboxamide?
(2S)-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 (2S)-N-cyclopropyl-1-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]piperazine-2-carboxamide is sourced from PubChem (CID 95715594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).