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

C11H19ClN4O — CID 106358031

IUPAC3-[(6-amino-5-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)Nc1ncnc(N)c1Cl
InChIInChI=1S/C11H19ClN4O/c1-11(2,3)7(4-5-17)16-10-8(12)9(13)14-6-15-10/h6-7,17H,4-5H2,1-3H3,(H3,13,14,15,16)
InChIKeyHHGCIIUNYKLUKV-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.92
Rot. Bonds4

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

3-[(6-amino-5-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol (PubChem CID 106358031) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is 3-[(6-amino-5-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[(6-amino-5-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
PubChem CID106358031
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC Name3-[(6-amino-5-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)Nc1ncnc(N)c1Cl
InChIInChI=1S/C11H19ClN4O/c1-11(2,3)7(4-5-17)16-10-8(12)9(13)14-6-15-10/h6-7,17H,4-5H2,1-3H3,(H3,13,14,15,16)
InChIKeyHHGCIIUNYKLUKV-UHFFFAOYSA-N
XLogP1.92
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-amino-6-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106348328
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 114178343
3-[(5-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106348369
3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106358458
4-chloro-6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyrimidine-5-carbaldehyde
CID 114177405
3-[(6-chloro-5-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106352639
3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106348403
4,4-dimethyl-3-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-1-ol
CID 103746152
5-chloro-4-N-(2,2-dimethylpropyl)pyrimidine-4,6-diamine
CID 106811895
(2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]propan-2-ol
CID 130619296
2-[(6-amino-5-chloropyrimidin-4-yl)amino]but-3-en-1-ol
CID 130719253
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 103746126

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-5-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[(6-amino-5-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol (CID 106358031) is 3-[(6-amino-5-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[(6-amino-5-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[(6-amino-5-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol is CC(C)(C)C(CCO)Nc1ncnc(N)c1Cl.
What is the InChIKey of 3-[(6-amino-5-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
The InChIKey is HHGCIIUNYKLUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O/c1-11(2,3)7(4-5-17)16-10-8(12)9(13)14-6-15-10/h6-7,17H,4-5H2,1-3H3,(H3,13,14,15,16).
What are the key properties of 3-[(6-amino-5-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
3-[(6-amino-5-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol has a molecular weight of 258.75 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-5-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106358031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).