2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide

C16H26N4O2 — CID 133412286

IUPAC2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide
SMILESCOCc1cc(NC2CCCC2C(N)=O)nc(C(C)(C)C)n1
InChIInChI=1S/C16H26N4O2/c1-16(2,3)15-18-10(9-22-4)8-13(20-15)19-12-7-5-6-11(12)14(17)21/h8,11-12H,5-7,9H2,1-4H3,(H2,17,21)(H,18,19,20)
InChIKeyQBFDJOMJVDYKMF-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.99
Rot. Bonds5

About 2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide

2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide (PubChem CID 133412286) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide
PubChem CID133412286
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide
SMILESCOCc1cc(NC2CCCC2C(N)=O)nc(C(C)(C)C)n1
InChIInChI=1S/C16H26N4O2/c1-16(2,3)15-18-10(9-22-4)8-13(20-15)19-12-7-5-6-11(12)14(17)21/h8,11-12H,5-7,9H2,1-4H3,(H2,17,21)(H,18,19,20)
InChIKeyQBFDJOMJVDYKMF-UHFFFAOYSA-N
XLogP1.99
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cycloheptyl]methanol
CID 133412384
2-tert-butyl-N-(1-cyclopentylpiperidin-4-yl)-6-(methoxymethyl)pyrimidin-4-amine
CID 133412075
[(1S,4R)-4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cyclopent-2-en-1-yl]methanol
CID 133402823
2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-2-(4-fluorophenyl)acetamide
CID 133476224
2-tert-butyl-6-(methoxymethyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrimidin-4-amine
CID 133402718
cis-(1S,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1-carboxylic acid
CID 138020678
2-tert-butyl-6-(methoxymethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine
CID 133400878
2-tert-butyl-N-(2,2-difluoroethyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 133402707
2-tert-butyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 133401655
2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclopentane-1-carboxamide
CID 133419370
2-[[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]methyl]-4-methoxyphenol
CID 133401878
3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
CID 133402560

Frequently Asked Questions

What is the IUPAC name of 2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide?
The IUPAC name of 2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide (CID 133412286) is 2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide?
The canonical SMILES for 2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide is COCc1cc(NC2CCCC2C(N)=O)nc(C(C)(C)C)n1.
What is the InChIKey of 2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide?
The InChIKey is QBFDJOMJVDYKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-16(2,3)15-18-10(9-22-4)8-13(20-15)19-12-7-5-6-11(12)14(17)21/h8,11-12H,5-7,9H2,1-4H3,(H2,17,21)(H,18,19,20).
What are the key properties of 2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide?
2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 133412286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).