2-[(2-tert-butylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide

C14H22N4O — CID 75378105

IUPAC2-[(2-tert-butylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide
SMILESCC(C)(C)c1nccc(NC2CCCC2C(N)=O)n1
InChIInChI=1S/C14H22N4O/c1-14(2,3)13-16-8-7-11(18-13)17-10-6-4-5-9(10)12(15)19/h7-10H,4-6H2,1-3H3,(H2,15,19)(H,16,17,18)
InChIKeyMEMKRWPXTLOCDF-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.84
Rot. Bonds3

About 2-[(2-tert-butylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide

2-[(2-tert-butylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide (PubChem CID 75378105) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[(2-tert-butylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[(2-tert-butylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide
PubChem CID75378105
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-[(2-tert-butylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide
SMILESCC(C)(C)c1nccc(NC2CCCC2C(N)=O)n1
InChIInChI=1S/C14H22N4O/c1-14(2,3)13-16-8-7-11(18-13)17-10-6-4-5-9(10)12(15)19/h7-10H,4-6H2,1-3H3,(H2,15,19)(H,16,17,18)
InChIKeyMEMKRWPXTLOCDF-UHFFFAOYSA-N
XLogP1.84
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide?
The IUPAC name of 2-[(2-tert-butylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide (CID 75378105) is 2-[(2-tert-butylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[(2-tert-butylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide?
The canonical SMILES for 2-[(2-tert-butylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide is CC(C)(C)c1nccc(NC2CCCC2C(N)=O)n1.
What is the InChIKey of 2-[(2-tert-butylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide?
The InChIKey is MEMKRWPXTLOCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-14(2,3)13-16-8-7-11(18-13)17-10-6-4-5-9(10)12(15)19/h7-10H,4-6H2,1-3H3,(H2,15,19)(H,16,17,18).
What are the key properties of 2-[(2-tert-butylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide?
2-[(2-tert-butylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 75378105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).