N-cyclopropyl-4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazine-2-carboxamide

C15H20F3N5O — CID 56889561

IUPACN-cyclopropyl-4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazine-2-carboxamide
SMILESCc1nc(C(F)(F)F)nc(N2CCNC(C(=O)NC3CC3)C2)c1C
InChIInChI=1S/C15H20F3N5O/c1-8-9(2)20-14(15(16,17)18)22-12(8)23-6-5-19-11(7-23)13(24)21-10-3-4-10/h10-11,19H,3-7H2,1-2H3,(H,21,24)
InChIKeyLVWMTZYJLDSYLP-UHFFFAOYSA-N
MW343.35 g/mol
LogP1.17
Rot. Bonds3

About N-cyclopropyl-4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazine-2-carboxamide

N-cyclopropyl-4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazine-2-carboxamide (PubChem CID 56889561) has the molecular formula C15H20F3N5O and a molecular weight of 343.35 g/mol. Its IUPAC name is N-cyclopropyl-4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazine-2-carboxamide
PubChem CID56889561
Molecular FormulaC15H20F3N5O
Molecular Weight343.35 g/mol
Exact Mass343.16
IUPAC NameN-cyclopropyl-4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazine-2-carboxamide
SMILESCc1nc(C(F)(F)F)nc(N2CCNC(C(=O)NC3CC3)C2)c1C
InChIInChI=1S/C15H20F3N5O/c1-8-9(2)20-14(15(16,17)18)22-12(8)23-6-5-19-11(7-23)13(24)21-10-3-4-10/h10-11,19H,3-7H2,1-2H3,(H,21,24)
InChIKeyLVWMTZYJLDSYLP-UHFFFAOYSA-N
XLogP1.17
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-(6-methyl-2-propyl-4-pyrimidinyl)-2-piperazinecarboxamide
CID 56903950
4-[(3R)-3-aminopyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 165671954
N~2~-(2-amino-5-ethyl-6-methylpyrimidin-4-yl)-N~1~-cyclopropylglycinamide
CID 72889417
1-[1-(5,6-Dimethylpyrimidin-4-YL)piperidin-4-YL]-1,4-diazepan-5-one
CID 72926699
2-(4,5-dimethyl-6-oxopyrimidin-1(6H)-yl)-N-(1-(2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)acetamide
CID 91631441
2-acetamido-N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}acetamide
CID 91631455
(3S)-3-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]pyrrolidin-2-one
CID 95144260
(3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one
CID 128563070
(3S)-4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-propan-2-ylpiperazin-2-one
CID 164632929
1-[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3,3,3-trifluoropropan-1-one
CID 89752489
N-[(2S)-1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 122632305
N-[1-[4-[2-[4-amino-6-methyl-2-(trifluoromethyl)pyrimidin-5-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 134364180

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazine-2-carboxamide?
The IUPAC name of N-cyclopropyl-4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazine-2-carboxamide (CID 56889561) is N-cyclopropyl-4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazine-2-carboxamide is Cc1nc(C(F)(F)F)nc(N2CCNC(C(=O)NC3CC3)C2)c1C.
What is the InChIKey of N-cyclopropyl-4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazine-2-carboxamide?
The InChIKey is LVWMTZYJLDSYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5O/c1-8-9(2)20-14(15(16,17)18)22-12(8)23-6-5-19-11(7-23)13(24)21-10-3-4-10/h10-11,19H,3-7H2,1-2H3,(H,21,24).
What are the key properties of N-cyclopropyl-4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazine-2-carboxamide?
N-cyclopropyl-4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazine-2-carboxamide has a molecular weight of 343.35 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazine-2-carboxamide is sourced from PubChem (CID 56889561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).