cis-(1R,2S)-2-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide

C13H20N4O — CID 72859971

IUPACcis-(1R,2S)-2-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide
SMILESCc1nc(C)c(C)c(N[C@H]2CCC[C@H]2C(N)=O)n1
InChIInChI=1S/C13H20N4O/c1-7-8(2)15-9(3)16-13(7)17-11-6-4-5-10(11)12(14)18/h10-11H,4-6H2,1-3H3,(H2,14,18)(H,15,16,17)/t10-,11+/m1/s1
InChIKeySMTFJYRQCZWVBH-MNOVXSKESA-N
MW248.33 g/mol
LogP1.47
Rot. Bonds3

About cis-(1R,2S)-2-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide

cis-(1R,2S)-2-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide (PubChem CID 72859971) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide
PubChem CID72859971
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Namecis-(1R,2S)-2-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide
SMILESCc1nc(C)c(C)c(N[C@H]2CCC[C@H]2C(N)=O)n1
InChIInChI=1S/C13H20N4O/c1-7-8(2)15-9(3)16-13(7)17-11-6-4-5-10(11)12(14)18/h10-11H,4-6H2,1-3H3,(H2,14,18)(H,15,16,17)/t10-,11+/m1/s1
InChIKeySMTFJYRQCZWVBH-MNOVXSKESA-N
XLogP1.47
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide (CID 72859971) is cis-(1R,2S)-2-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide is Cc1nc(C)c(C)c(N[C@H]2CCC[C@H]2C(N)=O)n1.
What is the InChIKey of cis-(1R,2S)-2-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide?
The InChIKey is SMTFJYRQCZWVBH-MNOVXSKESA-N. The full InChI is InChI=1S/C13H20N4O/c1-7-8(2)15-9(3)16-13(7)17-11-6-4-5-10(11)12(14)18/h10-11H,4-6H2,1-3H3,(H2,14,18)(H,15,16,17)/t10-,11+/m1/s1.
What are the key properties of cis-(1R,2S)-2-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide?
cis-(1R,2S)-2-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 72859971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).