cis-(1S,2R)-N-propan-2-yl-2-[[5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide

C14H19F3N4O — CID 141160246

IUPACcis-(1S,2R)-N-propan-2-yl-2-[[5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide
SMILESCC(C)NC(=O)[C@H]1CCC[C@H]1Nc1ncncc1C(F)(F)F
InChIInChI=1S/C14H19F3N4O/c1-8(2)20-13(22)9-4-3-5-11(9)21-12-10(14(15,16)17)6-18-7-19-12/h6-9,11H,3-5H2,1-2H3,(H,20,22)(H,18,19,21)/t9-,11+/m0/s1
InChIKeyPWRZYMBEVCGZEW-GXSJLCMTSA-N
MW316.33 g/mol
LogP2.60
Rot. Bonds4

About cis-(1S,2R)-N-propan-2-yl-2-[[5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide

cis-(1S,2R)-N-propan-2-yl-2-[[5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide (PubChem CID 141160246) has the molecular formula C14H19F3N4O and a molecular weight of 316.33 g/mol. Its IUPAC name is cis-(1S,2R)-N-propan-2-yl-2-[[5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-propan-2-yl-2-[[5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide
PubChem CID141160246
Molecular FormulaC14H19F3N4O
Molecular Weight316.33 g/mol
Exact Mass316.15
IUPAC Namecis-(1S,2R)-N-propan-2-yl-2-[[5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide
SMILESCC(C)NC(=O)[C@H]1CCC[C@H]1Nc1ncncc1C(F)(F)F
InChIInChI=1S/C14H19F3N4O/c1-8(2)20-13(22)9-4-3-5-11(9)21-12-10(14(15,16)17)6-18-7-19-12/h6-9,11H,3-5H2,1-2H3,(H,20,22)(H,18,19,21)/t9-,11+/m0/s1
InChIKeyPWRZYMBEVCGZEW-GXSJLCMTSA-N
XLogP2.60
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-propan-2-yl-2-[[5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-propan-2-yl-2-[[5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide (CID 141160246) is cis-(1S,2R)-N-propan-2-yl-2-[[5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-propan-2-yl-2-[[5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-propan-2-yl-2-[[5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide is CC(C)NC(=O)[C@H]1CCC[C@H]1Nc1ncncc1C(F)(F)F.
What is the InChIKey of cis-(1S,2R)-N-propan-2-yl-2-[[5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide?
The InChIKey is PWRZYMBEVCGZEW-GXSJLCMTSA-N. The full InChI is InChI=1S/C14H19F3N4O/c1-8(2)20-13(22)9-4-3-5-11(9)21-12-10(14(15,16)17)6-18-7-19-12/h6-9,11H,3-5H2,1-2H3,(H,20,22)(H,18,19,21)/t9-,11+/m0/s1.
What are the key properties of cis-(1S,2R)-N-propan-2-yl-2-[[5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide?
cis-(1S,2R)-N-propan-2-yl-2-[[5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide has a molecular weight of 316.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-propan-2-yl-2-[[5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 141160246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).