(2S)-N-cyclopropyl-4-(2-methyl-5-propylpyrimidin-4-yl)piperazine-2-carboxamide

C16H25N5O — CID 95717503

IUPAC(2S)-N-cyclopropyl-4-(2-methyl-5-propylpyrimidin-4-yl)piperazine-2-carboxamide
SMILESCCCc1cnc(C)nc1N1CCN[C@H](C(=O)NC2CC2)C1
InChIInChI=1S/C16H25N5O/c1-3-4-12-9-18-11(2)19-15(12)21-8-7-17-14(10-21)16(22)20-13-5-6-13/h9,13-14,17H,3-8,10H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyVWQUCHAPMIIYOW-AWEZNQCLSA-N
MW303.41 g/mol
LogP0.79
Rot. Bonds5

About (2S)-N-cyclopropyl-4-(2-methyl-5-propylpyrimidin-4-yl)piperazine-2-carboxamide

(2S)-N-cyclopropyl-4-(2-methyl-5-propylpyrimidin-4-yl)piperazine-2-carboxamide (PubChem CID 95717503) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-4-(2-methyl-5-propylpyrimidin-4-yl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-4-(2-methyl-5-propylpyrimidin-4-yl)piperazine-2-carboxamide
PubChem CID95717503
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name(2S)-N-cyclopropyl-4-(2-methyl-5-propylpyrimidin-4-yl)piperazine-2-carboxamide
SMILESCCCc1cnc(C)nc1N1CCN[C@H](C(=O)NC2CC2)C1
InChIInChI=1S/C16H25N5O/c1-3-4-12-9-18-11(2)19-15(12)21-8-7-17-14(10-21)16(22)20-13-5-6-13/h9,13-14,17H,3-8,10H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyVWQUCHAPMIIYOW-AWEZNQCLSA-N
XLogP0.79
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-4-(2-methyl-5-propylpyrimidin-4-yl)piperazine-2-carboxamide?
The IUPAC name of (2S)-N-cyclopropyl-4-(2-methyl-5-propylpyrimidin-4-yl)piperazine-2-carboxamide (CID 95717503) is (2S)-N-cyclopropyl-4-(2-methyl-5-propylpyrimidin-4-yl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclopropyl-4-(2-methyl-5-propylpyrimidin-4-yl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-N-cyclopropyl-4-(2-methyl-5-propylpyrimidin-4-yl)piperazine-2-carboxamide is CCCc1cnc(C)nc1N1CCN[C@H](C(=O)NC2CC2)C1.
What is the InChIKey of (2S)-N-cyclopropyl-4-(2-methyl-5-propylpyrimidin-4-yl)piperazine-2-carboxamide?
The InChIKey is VWQUCHAPMIIYOW-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25N5O/c1-3-4-12-9-18-11(2)19-15(12)21-8-7-17-14(10-21)16(22)20-13-5-6-13/h9,13-14,17H,3-8,10H2,1-2H3,(H,20,22)/t14-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-4-(2-methyl-5-propylpyrimidin-4-yl)piperazine-2-carboxamide?
(2S)-N-cyclopropyl-4-(2-methyl-5-propylpyrimidin-4-yl)piperazine-2-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-4-(2-methyl-5-propylpyrimidin-4-yl)piperazine-2-carboxamide is sourced from PubChem (CID 95717503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).