3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol

C11H18ClN3O — CID 65109347

IUPAC3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1ncnc(Cl)c1C
InChIInChI=1S/C11H18ClN3O/c1-4-11(16,5-2)6-13-10-8(3)9(12)14-7-15-10/h7,16H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyIVDIPHHPIYQGOX-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.40
Rot. Bonds5

About 3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol

3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol (PubChem CID 65109347) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol
PubChem CID65109347
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1ncnc(Cl)c1C
InChIInChI=1S/C11H18ClN3O/c1-4-11(16,5-2)6-13-10-8(3)9(12)14-7-15-10/h7,16H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyIVDIPHHPIYQGOX-UHFFFAOYSA-N
XLogP2.40
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol with MolForge

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Related Compounds

(2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-cyclopropylpropan-2-ol
CID 164639238
3-[[(2-Chloro-5-fluoropyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 79075697
3-[(6-Chloro-5-methylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 105648255
3-[(6-Chloro-5-methylpyrimidin-4-yl)amino]-1,1-difluoropropan-2-ol
CID 105648353
4-(4-Amino-6-chloropyrimidin-5-yl)-2-methylbut-3-yn-2-ol
CID 90233065
1-[(2,6-Dichloro-5-methanimidoylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 91050598
1-[[(5-Chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
CID 117663615
1-[(5-Chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 132240187
6-chloro-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine
CID 13066841
3-[[(2-Amino-6-chloropyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 47476454
2-[(6-Chloro-5-methylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 55229883
3-[[(6-Chloro-2-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 62922556

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol (CID 65109347) is 3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol is CCC(O)(CC)CNc1ncnc(Cl)c1C.
What is the InChIKey of 3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol?
The InChIKey is IVDIPHHPIYQGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-4-11(16,5-2)6-13-10-8(3)9(12)14-7-15-10/h7,16H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of 3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol?
3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol has a molecular weight of 243.74 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 65109347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).