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

C11H14F3N5O — CID 141160240

IUPACcis-(1S,2R)-2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide
SMILESNC(=O)[C@H]1CCC[C@H]1Nc1nc(N)ncc1C(F)(F)F
InChIInChI=1S/C11H14F3N5O/c12-11(13,14)6-4-17-10(16)19-9(6)18-7-3-1-2-5(7)8(15)20/h4-5,7H,1-3H2,(H2,15,20)(H3,16,17,18,19)/t5-,7+/m0/s1
InChIKeyKEIIMWDTLDEVRN-CAHLUQPWSA-N
MW289.26 g/mol
LogP1.14
Rot. Bonds3

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

cis-(1S,2R)-2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide (PubChem CID 141160240) has the molecular formula C11H14F3N5O and a molecular weight of 289.26 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide
PubChem CID141160240
Molecular FormulaC11H14F3N5O
Molecular Weight289.26 g/mol
Exact Mass289.12
IUPAC Namecis-(1S,2R)-2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide
SMILESNC(=O)[C@H]1CCC[C@H]1Nc1nc(N)ncc1C(F)(F)F
InChIInChI=1S/C11H14F3N5O/c12-11(13,14)6-4-17-10(16)19-9(6)18-7-3-1-2-5(7)8(15)20/h4-5,7H,1-3H2,(H2,15,20)(H3,16,17,18,19)/t5-,7+/m0/s1
InChIKeyKEIIMWDTLDEVRN-CAHLUQPWSA-N
XLogP1.14
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide (CID 141160240) is cis-(1S,2R)-2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide is NC(=O)[C@H]1CCC[C@H]1Nc1nc(N)ncc1C(F)(F)F.
What is the InChIKey of cis-(1S,2R)-2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide?
The InChIKey is KEIIMWDTLDEVRN-CAHLUQPWSA-N. The full InChI is InChI=1S/C11H14F3N5O/c12-11(13,14)6-4-17-10(16)19-9(6)18-7-3-1-2-5(7)8(15)20/h4-5,7H,1-3H2,(H2,15,20)(H3,16,17,18,19)/t5-,7+/m0/s1.
What are the key properties of cis-(1S,2R)-2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide?
cis-(1S,2R)-2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide has a molecular weight of 289.26 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 141160240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).