5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-1-ol

C12H20ClN3O2 — CID 106162537

IUPAC5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-1-ol
SMILESCOCc1nc(Cl)cc(NCCCC(C)CO)n1
InChIInChI=1S/C12H20ClN3O2/c1-9(7-17)4-3-5-14-11-6-10(13)15-12(16-11)8-18-2/h6,9,17H,3-5,7-8H2,1-2H3,(H,14,15,16)
InChIKeyVPKMOQOEBAVJIG-UHFFFAOYSA-N
MW273.76 g/mol
LogP2.10
Rot. Bonds8

About 5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-1-ol

5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-1-ol (PubChem CID 106162537) has the molecular formula C12H20ClN3O2 and a molecular weight of 273.76 g/mol. Its IUPAC name is 5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-1-ol
PubChem CID106162537
Molecular FormulaC12H20ClN3O2
Molecular Weight273.76 g/mol
Exact Mass273.12
IUPAC Name5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-1-ol
SMILESCOCc1nc(Cl)cc(NCCCC(C)CO)n1
InChIInChI=1S/C12H20ClN3O2/c1-9(7-17)4-3-5-14-11-6-10(13)15-12(16-11)8-18-2/h6,9,17H,3-5,7-8H2,1-2H3,(H,14,15,16)
InChIKeyVPKMOQOEBAVJIG-UHFFFAOYSA-N
XLogP2.10
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 52.10
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]pentan-2-ol
CID 106137286
5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162556
5-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 103858567
5-[(4-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 104925080
5-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162555
6-chloro-N-(3-ethoxypropyl)-2-(methoxymethyl)pyrimidin-4-amine
CID 82463136
3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106178835
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
6-chloro-N-[2-(4-fluorophenyl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
CID 82463163
5-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 114152330
5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
CID 106137297

Frequently Asked Questions

What is the IUPAC name of 5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-1-ol?
The IUPAC name of 5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-1-ol (CID 106162537) is 5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-1-ol is COCc1nc(Cl)cc(NCCCC(C)CO)n1.
What is the InChIKey of 5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-1-ol?
The InChIKey is VPKMOQOEBAVJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O2/c1-9(7-17)4-3-5-14-11-6-10(13)15-12(16-11)8-18-2/h6,9,17H,3-5,7-8H2,1-2H3,(H,14,15,16).
What are the key properties of 5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-1-ol?
5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-1-ol has a molecular weight of 273.76 g/mol, XLogP of 2.10, 8 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]-2-methylpentan-1-ol is sourced from PubChem (CID 106162537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).