[1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol

C15H26N4O — CID 80957612

IUPAC[1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
SMILESCNc1cc(NC2(CO)CCCC2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H26N4O/c1-14(2,3)13-17-11(16-4)9-12(18-13)19-15(10-20)7-5-6-8-15/h9,20H,5-8,10H2,1-4H3,(H2,16,17,18,19)
InChIKeyUTENZCHWDGBUKA-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.53
Rot. Bonds4

About [1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol

[1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol (PubChem CID 80957612) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is [1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
PubChem CID80957612
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name[1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
SMILESCNc1cc(NC2(CO)CCCC2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H26N4O/c1-14(2,3)13-17-11(16-4)9-12(18-13)19-15(10-20)7-5-6-8-15/h9,20H,5-8,10H2,1-4H3,(H2,16,17,18,19)
InChIKeyUTENZCHWDGBUKA-UHFFFAOYSA-N
XLogP2.53
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol?
The IUPAC name of [1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol (CID 80957612) is [1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol.
What is the SMILES notation for [1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol?
The canonical SMILES for [1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol is CNc1cc(NC2(CO)CCCC2)nc(C(C)(C)C)n1.
What is the InChIKey of [1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol?
The InChIKey is UTENZCHWDGBUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-14(2,3)13-17-11(16-4)9-12(18-13)19-15(10-20)7-5-6-8-15/h9,20H,5-8,10H2,1-4H3,(H2,16,17,18,19).
What are the key properties of [1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol?
[1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol has a molecular weight of 278.40 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol is sourced from PubChem (CID 80957612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).