5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]pentan-2-ol

C11H18ClN3O2 — CID 106137286

IUPAC5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]pentan-2-ol
SMILESCOCc1nc(Cl)cc(NCCCC(C)O)n1
InChIInChI=1S/C11H18ClN3O2/c1-8(16)4-3-5-13-10-6-9(12)14-11(15-10)7-17-2/h6,8,16H,3-5,7H2,1-2H3,(H,13,14,15)
InChIKeyMNKCNGNEYJNBTM-UHFFFAOYSA-N
MW259.74 g/mol
LogP1.85
Rot. Bonds7

About 5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]pentan-2-ol

5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]pentan-2-ol (PubChem CID 106137286) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is 5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]pentan-2-ol.

Molecular Properties

Compound Name5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]pentan-2-ol
PubChem CID106137286
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Name5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]pentan-2-ol
SMILESCOCc1nc(Cl)cc(NCCCC(C)O)n1
InChIInChI=1S/C11H18ClN3O2/c1-8(16)4-3-5-13-10-6-9(12)14-11(15-10)7-17-2/h6,8,16H,3-5,7H2,1-2H3,(H,13,14,15)
InChIKeyMNKCNGNEYJNBTM-UHFFFAOYSA-N
XLogP1.85
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-1-ol
CID 106162537
5-[(6-chloro-2-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 107269267
5-[(2-amino-6-chloropyrimidin-4-yl)amino]pentan-2-ol
CID 107269286
5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
CID 106137297
6-chloro-N-(3-ethoxypropyl)-2-(methoxymethyl)pyrimidin-4-amine
CID 82463136
3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol
CID 114093885
2-[2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethoxy]acetamide
CID 114162689
5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162556
6-chloro-N-[2-(4-fluorophenyl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
CID 82463163
3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106178835
2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide
CID 106341586
6-chloro-2-(ethoxymethyl)-N-(3-ethoxypropyl)pyrimidin-4-amine
CID 113400806

Frequently Asked Questions

What is the IUPAC name of 5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]pentan-2-ol?
The IUPAC name of 5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]pentan-2-ol (CID 106137286) is 5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]pentan-2-ol.
What is the SMILES notation for 5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]pentan-2-ol?
The canonical SMILES for 5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]pentan-2-ol is COCc1nc(Cl)cc(NCCCC(C)O)n1.
What is the InChIKey of 5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]pentan-2-ol?
The InChIKey is MNKCNGNEYJNBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2/c1-8(16)4-3-5-13-10-6-9(12)14-11(15-10)7-17-2/h6,8,16H,3-5,7H2,1-2H3,(H,13,14,15).
What are the key properties of 5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]pentan-2-ol?
5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]pentan-2-ol has a molecular weight of 259.74 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]pentan-2-ol is sourced from PubChem (CID 106137286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).