3-[[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]methyl]pentan-1-ol

C13H20ClN3O — CID 80951466

IUPAC3-[[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C13H20ClN3O/c1-2-9(5-6-18)8-15-12-7-11(14)16-13(17-12)10-3-4-10/h7,9-10,18H,2-6,8H2,1H3,(H,15,16,17)
InChIKeyDFLYOXCZMNWNBE-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.83
Rot. Bonds7

About 3-[[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]methyl]pentan-1-ol

3-[[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]methyl]pentan-1-ol (PubChem CID 80951466) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 3-[[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]methyl]pentan-1-ol
PubChem CID80951466
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name3-[[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C13H20ClN3O/c1-2-9(5-6-18)8-15-12-7-11(14)16-13(17-12)10-3-4-10/h7,9-10,18H,2-6,8H2,1H3,(H,15,16,17)
InChIKeyDFLYOXCZMNWNBE-UHFFFAOYSA-N
XLogP2.83
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]methyl]pentan-1-ol with MolForge

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Related Compounds

6-chloro-2-cyclopropyl-N-(2,3-dimethylbutyl)pyrimidin-4-amine
CID 80950847
6-chloro-2-cyclopropyl-N-(2,2-dicyclopropylethyl)pyrimidin-4-amine
CID 80951077
3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propan-1-ol
CID 80953184
4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butan-1-ol
CID 106842916
6-chloro-2-cyclopropyl-N-pentan-3-ylpyrimidin-4-amine
CID 80948003
3-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 114145568
3-[[(4-amino-6-cyclopropyl-1,3,5-triazin-2-yl)amino]methyl]pentan-1-ol
CID 112746297
6-chloro-2-cyclopropyl-N-(2-methylprop-2-enyl)pyrimidin-4-amine
CID 104952861
6-chloro-2-cyclopropyl-N-[(1-ethylcyclobutyl)methyl]pyrimidin-4-amine
CID 114109149
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 80953399
6-chloro-2-cyclopropyl-N-(2-ethylsulfonylethyl)pyrimidin-4-amine
CID 103880067
2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 114009409

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]methyl]pentan-1-ol?
The IUPAC name of 3-[[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]methyl]pentan-1-ol (CID 80951466) is 3-[[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]methyl]pentan-1-ol.
What is the SMILES notation for 3-[[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]methyl]pentan-1-ol?
The canonical SMILES for 3-[[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]methyl]pentan-1-ol is CCC(CCO)CNc1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 3-[[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]methyl]pentan-1-ol?
The InChIKey is DFLYOXCZMNWNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-2-9(5-6-18)8-15-12-7-11(14)16-13(17-12)10-3-4-10/h7,9-10,18H,2-6,8H2,1H3,(H,15,16,17).
What are the key properties of 3-[[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]methyl]pentan-1-ol?
3-[[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]methyl]pentan-1-ol has a molecular weight of 269.78 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]methyl]pentan-1-ol is sourced from PubChem (CID 80951466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).