[1-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]cyclopentyl]methanol

C14H24N4O — CID 80957689

IUPAC[1-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]cyclopentyl]methanol
SMILESCC(C)(C)c1nc(N)cc(NC2(CO)CCCC2)n1
InChIInChI=1S/C14H24N4O/c1-13(2,3)12-16-10(15)8-11(17-12)18-14(9-19)6-4-5-7-14/h8,19H,4-7,9H2,1-3H3,(H3,15,16,17,18)
InChIKeyMFYZMOMHDQSKPB-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.07
Rot. Bonds3

About [1-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]cyclopentyl]methanol

[1-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]cyclopentyl]methanol (PubChem CID 80957689) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is [1-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]cyclopentyl]methanol
PubChem CID80957689
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name[1-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]cyclopentyl]methanol
SMILESCC(C)(C)c1nc(N)cc(NC2(CO)CCCC2)n1
InChIInChI=1S/C14H24N4O/c1-13(2,3)12-16-10(15)8-11(17-12)18-14(9-19)6-4-5-7-14/h8,19H,4-7,9H2,1-3H3,(H3,15,16,17,18)
InChIKeyMFYZMOMHDQSKPB-UHFFFAOYSA-N
XLogP2.07
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]cyclopentyl]methanol?
The IUPAC name of [1-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]cyclopentyl]methanol (CID 80957689) is [1-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]cyclopentyl]methanol.
What is the SMILES notation for [1-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]cyclopentyl]methanol?
The canonical SMILES for [1-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]cyclopentyl]methanol is CC(C)(C)c1nc(N)cc(NC2(CO)CCCC2)n1.
What is the InChIKey of [1-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]cyclopentyl]methanol?
The InChIKey is MFYZMOMHDQSKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-13(2,3)12-16-10(15)8-11(17-12)18-14(9-19)6-4-5-7-14/h8,19H,4-7,9H2,1-3H3,(H3,15,16,17,18).
What are the key properties of [1-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]cyclopentyl]methanol?
[1-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]cyclopentyl]methanol has a molecular weight of 264.37 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]cyclopentyl]methanol is sourced from PubChem (CID 80957689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).