[1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]methanol

C9H13ClN4O — CID 500507

IUPAC[1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
SMILESNc1nc(Cl)cc(NCC2(CO)CC2)n1
InChIInChI=1S/C9H13ClN4O/c10-6-3-7(14-8(11)13-6)12-4-9(5-15)1-2-9/h3,15H,1-2,4-5H2,(H3,11,12,13,14)
InChIKeyXLJMRABAEUTNKS-UHFFFAOYSA-N
MW228.68 g/mol
LogP0.90
Rot. Bonds4

About [1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]methanol

[1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]methanol (PubChem CID 500507) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is [1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
PubChem CID500507
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name[1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
SMILESNc1nc(Cl)cc(NCC2(CO)CC2)n1
InChIInChI=1S/C9H13ClN4O/c10-6-3-7(14-8(11)13-6)12-4-9(5-15)1-2-9/h3,15H,1-2,4-5H2,(H3,11,12,13,14)
InChIKeyXLJMRABAEUTNKS-UHFFFAOYSA-N
XLogP0.90
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 50.90
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-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]methanol (CID 500507) is [1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]methanol is Nc1nc(Cl)cc(NCC2(CO)CC2)n1.
What is the InChIKey of [1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]methanol?
The InChIKey is XLJMRABAEUTNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O/c10-6-3-7(14-8(11)13-6)12-4-9(5-15)1-2-9/h3,15H,1-2,4-5H2,(H3,11,12,13,14).
What are the key properties of [1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]methanol?
[1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]methanol has a molecular weight of 228.68 g/mol, XLogP of 0.90, 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-chloropyrimidin-4-yl)amino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 500507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).