3-[(6-chloro-5-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol

C14H24ClN3O — CID 106352639

IUPAC3-[(6-chloro-5-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCCCc1c(Cl)ncnc1NC(CCO)C(C)(C)C
InChIInChI=1S/C14H24ClN3O/c1-5-6-10-12(15)16-9-17-13(10)18-11(7-8-19)14(2,3)4/h9,11,19H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyPMNNOOAVZJYGIJ-UHFFFAOYSA-N
MW285.82 g/mol
LogP3.29
Rot. Bonds6

About 3-[(6-chloro-5-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol

3-[(6-chloro-5-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol (PubChem CID 106352639) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is 3-[(6-chloro-5-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[(6-chloro-5-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
PubChem CID106352639
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC Name3-[(6-chloro-5-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCCCc1c(Cl)ncnc1NC(CCO)C(C)(C)C
InChIInChI=1S/C14H24ClN3O/c1-5-6-10-12(15)16-9-17-13(10)18-11(7-8-19)14(2,3)4/h9,11,19H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyPMNNOOAVZJYGIJ-UHFFFAOYSA-N
XLogP3.29
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-amino-6-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106348328
4-chloro-6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyrimidine-5-carbaldehyde
CID 114177405
2-[(6-chloro-5-propylpyrimidin-4-yl)amino]ethanol
CID 63736464
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 114178343
3-[(6-amino-5-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106358031
3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106358458
3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106348403
3-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
CID 114178348
2-[(6-chloro-5-propylpyrimidin-4-yl)amino]acetamide
CID 63736500
4-methyl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 106358084
3-[(5-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106348369
2-[(6-chloro-5-propylpyrimidin-4-yl)amino]-2,3-dimethylbutanamide
CID 112738372

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-5-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[(6-chloro-5-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol (CID 106352639) is 3-[(6-chloro-5-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[(6-chloro-5-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[(6-chloro-5-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol is CCCc1c(Cl)ncnc1NC(CCO)C(C)(C)C.
What is the InChIKey of 3-[(6-chloro-5-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
The InChIKey is PMNNOOAVZJYGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-5-6-10-12(15)16-9-17-13(10)18-11(7-8-19)14(2,3)4/h9,11,19H,5-8H2,1-4H3,(H,16,17,18).
What are the key properties of 3-[(6-chloro-5-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
3-[(6-chloro-5-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol has a molecular weight of 285.82 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-5-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106352639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).