3-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]pentan-3-ol

C10H17ClN4O — CID 47476454

IUPAC3-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1cc(Cl)nc(N)n1
InChIInChI=1S/C10H17ClN4O/c1-3-10(16,4-2)6-13-8-5-7(11)14-9(12)15-8/h5,16H,3-4,6H2,1-2H3,(H3,12,13,14,15)
InChIKeyGBCHVKNOSOPUIW-UHFFFAOYSA-N
MW244.73 g/mol
LogP1.68
Rot. Bonds5

About 3-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]pentan-3-ol

3-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]pentan-3-ol (PubChem CID 47476454) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is 3-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]pentan-3-ol
PubChem CID47476454
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC Name3-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1cc(Cl)nc(N)n1
InChIInChI=1S/C10H17ClN4O/c1-3-10(16,4-2)6-13-8-5-7(11)14-9(12)15-8/h5,16H,3-4,6H2,1-2H3,(H3,12,13,14,15)
InChIKeyGBCHVKNOSOPUIW-UHFFFAOYSA-N
XLogP1.68
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 51.68
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]pentan-3-ol?
The IUPAC name of 3-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]pentan-3-ol (CID 47476454) is 3-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]pentan-3-ol is CCC(O)(CC)CNc1cc(Cl)nc(N)n1.
What is the InChIKey of 3-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]pentan-3-ol?
The InChIKey is GBCHVKNOSOPUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O/c1-3-10(16,4-2)6-13-8-5-7(11)14-9(12)15-8/h5,16H,3-4,6H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 3-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]pentan-3-ol?
3-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]pentan-3-ol has a molecular weight of 244.73 g/mol, XLogP of 1.68, 5 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]pentan-3-ol is sourced from PubChem (CID 47476454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).