N-cyclopropyl-4-(6-methyl-2-propylpyrimidin-4-yl)piperazine-2-carboxamide

C16H25N5O — CID 56903950

IUPACN-cyclopropyl-4-(6-methyl-2-propylpyrimidin-4-yl)piperazine-2-carboxamide
SMILESCCCc1nc(C)cc(N2CCNC(C(=O)NC3CC3)C2)n1
InChIInChI=1S/C16H25N5O/c1-3-4-14-18-11(2)9-15(20-14)21-8-7-17-13(10-21)16(22)19-12-5-6-12/h9,12-13,17H,3-8,10H2,1-2H3,(H,19,22)
InChIKeyWYPJPHZAIROWHP-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.79
Rot. Bonds5

About N-cyclopropyl-4-(6-methyl-2-propylpyrimidin-4-yl)piperazine-2-carboxamide

N-cyclopropyl-4-(6-methyl-2-propylpyrimidin-4-yl)piperazine-2-carboxamide (PubChem CID 56903950) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is N-cyclopropyl-4-(6-methyl-2-propylpyrimidin-4-yl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(6-methyl-2-propylpyrimidin-4-yl)piperazine-2-carboxamide
PubChem CID56903950
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC NameN-cyclopropyl-4-(6-methyl-2-propylpyrimidin-4-yl)piperazine-2-carboxamide
SMILESCCCc1nc(C)cc(N2CCNC(C(=O)NC3CC3)C2)n1
InChIInChI=1S/C16H25N5O/c1-3-4-14-18-11(2)9-15(20-14)21-8-7-17-13(10-21)16(22)19-12-5-6-12/h9,12-13,17H,3-8,10H2,1-2H3,(H,19,22)
InChIKeyWYPJPHZAIROWHP-UHFFFAOYSA-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 N-cyclopropyl-4-(6-methyl-2-propylpyrimidin-4-yl)piperazine-2-carboxamide?
The IUPAC name of N-cyclopropyl-4-(6-methyl-2-propylpyrimidin-4-yl)piperazine-2-carboxamide (CID 56903950) is N-cyclopropyl-4-(6-methyl-2-propylpyrimidin-4-yl)piperazine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(6-methyl-2-propylpyrimidin-4-yl)piperazine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(6-methyl-2-propylpyrimidin-4-yl)piperazine-2-carboxamide is CCCc1nc(C)cc(N2CCNC(C(=O)NC3CC3)C2)n1.
What is the InChIKey of N-cyclopropyl-4-(6-methyl-2-propylpyrimidin-4-yl)piperazine-2-carboxamide?
The InChIKey is WYPJPHZAIROWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-3-4-14-18-11(2)9-15(20-14)21-8-7-17-13(10-21)16(22)19-12-5-6-12/h9,12-13,17H,3-8,10H2,1-2H3,(H,19,22).
What are the key properties of N-cyclopropyl-4-(6-methyl-2-propylpyrimidin-4-yl)piperazine-2-carboxamide?
N-cyclopropyl-4-(6-methyl-2-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 N-cyclopropyl-4-(6-methyl-2-propylpyrimidin-4-yl)piperazine-2-carboxamide is sourced from PubChem (CID 56903950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).