3-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol

C14H22ClN3O — CID 80978642

IUPAC3-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C14H22ClN3O/c1-4-14(19,5-2)8-16-12-9(3)11(15)17-13(18-12)10-6-7-10/h10,19H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyRJGXVHUXYITGHH-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.28
Rot. Bonds6

About 3-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol

3-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol (PubChem CID 80978642) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 3-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol
PubChem CID80978642
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name3-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C14H22ClN3O/c1-4-14(19,5-2)8-16-12-9(3)11(15)17-13(18-12)10-6-7-10/h10,19H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyRJGXVHUXYITGHH-UHFFFAOYSA-N
XLogP3.28
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol with MolForge

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Related Compounds

6-chloro-2-cyclopropyl-5-methyl-N-(2-methylpentan-2-yl)pyrimidin-4-amine
CID 113471962
6-chloro-2-cyclopropyl-5-methyl-N-prop-2-ynylpyrimidin-4-amine
CID 106194712
methyl 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetate
CID 80970316
2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 80971282
2-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]phenol
CID 106196538
3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 80959054
6-chloro-2-cyclopropyl-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 80971290
3-[2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83112926
3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
CID 80992851
6-chloro-2-cyclopropyl-5-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107414813
6-chloro-2-cyclopropyl-5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine
CID 106194508
6-chloro-2-cyclopropyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 80970322

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol (CID 80978642) is 3-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol is CCC(O)(CC)CNc1nc(C2CC2)nc(Cl)c1C.
What is the InChIKey of 3-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol?
The InChIKey is RJGXVHUXYITGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-4-14(19,5-2)8-16-12-9(3)11(15)17-13(18-12)10-6-7-10/h10,19H,4-8H2,1-3H3,(H,16,17,18).
What are the key properties of 3-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol?
3-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol has a molecular weight of 283.80 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 80978642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).