[1-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol

C11H18N4O — CID 500509

IUPAC[1-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol
SMILESCc1cc(NCC2(CO)CCC2)nc(N)n1
InChIInChI=1S/C11H18N4O/c1-8-5-9(15-10(12)14-8)13-6-11(7-16)3-2-4-11/h5,16H,2-4,6-7H2,1H3,(H3,12,13,14,15)
InChIKeyZGCMRTBTEOBOFH-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.94
Rot. Bonds4

About [1-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol

[1-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol (PubChem CID 500509) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is [1-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol
PubChem CID500509
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name[1-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol
SMILESCc1cc(NCC2(CO)CCC2)nc(N)n1
InChIInChI=1S/C11H18N4O/c1-8-5-9(15-10(12)14-8)13-6-11(7-16)3-2-4-11/h5,16H,2-4,6-7H2,1H3,(H3,12,13,14,15)
InChIKeyZGCMRTBTEOBOFH-UHFFFAOYSA-N
XLogP0.94
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol?
The IUPAC name of [1-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol (CID 500509) is [1-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol is Cc1cc(NCC2(CO)CCC2)nc(N)n1.
What is the InChIKey of [1-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol?
The InChIKey is ZGCMRTBTEOBOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-5-9(15-10(12)14-8)13-6-11(7-16)3-2-4-11/h5,16H,2-4,6-7H2,1H3,(H3,12,13,14,15).
What are the key properties of [1-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol?
[1-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol has a molecular weight of 222.29 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol is sourced from PubChem (CID 500509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).