[3-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]cyclobutyl]methanol

C10H15ClN4O — CID 134891725

IUPAC[3-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]cyclobutyl]methanol
SMILESNc1nc(Cl)cc(NCC2CC(CO)C2)n1
InChIInChI=1S/C10H15ClN4O/c11-8-3-9(15-10(12)14-8)13-4-6-1-7(2-6)5-16/h3,6-7,16H,1-2,4-5H2,(H3,12,13,14,15)
InChIKeyCMQJFMZWEZNLCB-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.14
Rot. Bonds4

About [3-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]cyclobutyl]methanol

[3-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]cyclobutyl]methanol (PubChem CID 134891725) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is [3-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[3-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]cyclobutyl]methanol
PubChem CID134891725
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name[3-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]cyclobutyl]methanol
SMILESNc1nc(Cl)cc(NCC2CC(CO)C2)n1
InChIInChI=1S/C10H15ClN4O/c11-8-3-9(15-10(12)14-8)13-4-6-1-7(2-6)5-16/h3,6-7,16H,1-2,4-5H2,(H3,12,13,14,15)
InChIKeyCMQJFMZWEZNLCB-UHFFFAOYSA-N
XLogP1.14
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]cyclobutyl]methanol?
The IUPAC name of [3-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]cyclobutyl]methanol (CID 134891725) is [3-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]cyclobutyl]methanol.
What is the SMILES notation for [3-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]cyclobutyl]methanol?
The canonical SMILES for [3-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]cyclobutyl]methanol is Nc1nc(Cl)cc(NCC2CC(CO)C2)n1.
What is the InChIKey of [3-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]cyclobutyl]methanol?
The InChIKey is CMQJFMZWEZNLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c11-8-3-9(15-10(12)14-8)13-4-6-1-7(2-6)5-16/h3,6-7,16H,1-2,4-5H2,(H3,12,13,14,15).
What are the key properties of [3-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]cyclobutyl]methanol?
[3-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]cyclobutyl]methanol has a molecular weight of 242.71 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]cyclobutyl]methanol is sourced from PubChem (CID 134891725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).