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

C10H12Cl2N4O — CID 87330195

IUPACcis-(1S,2R)-2-[(2,5-dichloropyrimidin-4-yl)amino]cyclopentane-1-carboxamide
SMILESNC(=O)[C@H]1CCC[C@H]1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C10H12Cl2N4O/c11-6-4-14-10(12)16-9(6)15-7-3-1-2-5(7)8(13)17/h4-5,7H,1-3H2,(H2,13,17)(H,14,15,16)/t5-,7+/m0/s1
InChIKeyOSTQXKXQOLMTEZ-CAHLUQPWSA-N
MW275.14 g/mol
LogP1.85
Rot. Bonds3

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

cis-(1S,2R)-2-[(2,5-dichloropyrimidin-4-yl)amino]cyclopentane-1-carboxamide (PubChem CID 87330195) has the molecular formula C10H12Cl2N4O and a molecular weight of 275.14 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(2,5-dichloropyrimidin-4-yl)amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(2,5-dichloropyrimidin-4-yl)amino]cyclopentane-1-carboxamide
PubChem CID87330195
Molecular FormulaC10H12Cl2N4O
Molecular Weight275.14 g/mol
Exact Mass274.04
IUPAC Namecis-(1S,2R)-2-[(2,5-dichloropyrimidin-4-yl)amino]cyclopentane-1-carboxamide
SMILESNC(=O)[C@H]1CCC[C@H]1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C10H12Cl2N4O/c11-6-4-14-10(12)16-9(6)15-7-3-1-2-5(7)8(13)17/h4-5,7H,1-3H2,(H2,13,17)(H,14,15,16)/t5-,7+/m0/s1
InChIKeyOSTQXKXQOLMTEZ-CAHLUQPWSA-N
XLogP1.85
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(2,5-dichloropyrimidin-4-yl)amino]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-[(2,5-dichloropyrimidin-4-yl)amino]cyclopentane-1-carboxamide (CID 87330195) is cis-(1S,2R)-2-[(2,5-dichloropyrimidin-4-yl)amino]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-[(2,5-dichloropyrimidin-4-yl)amino]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-[(2,5-dichloropyrimidin-4-yl)amino]cyclopentane-1-carboxamide is NC(=O)[C@H]1CCC[C@H]1Nc1nc(Cl)ncc1Cl.
What is the InChIKey of cis-(1S,2R)-2-[(2,5-dichloropyrimidin-4-yl)amino]cyclopentane-1-carboxamide?
The InChIKey is OSTQXKXQOLMTEZ-CAHLUQPWSA-N. The full InChI is InChI=1S/C10H12Cl2N4O/c11-6-4-14-10(12)16-9(6)15-7-3-1-2-5(7)8(13)17/h4-5,7H,1-3H2,(H2,13,17)(H,14,15,16)/t5-,7+/m0/s1.
What are the key properties of cis-(1S,2R)-2-[(2,5-dichloropyrimidin-4-yl)amino]cyclopentane-1-carboxamide?
cis-(1S,2R)-2-[(2,5-dichloropyrimidin-4-yl)amino]cyclopentane-1-carboxamide has a molecular weight of 275.14 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(2,5-dichloropyrimidin-4-yl)amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 87330195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).