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

C11H19ClN4O — CID 106348328

IUPAC3-[(5-amino-6-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)Nc1ncnc(Cl)c1N
InChIInChI=1S/C11H19ClN4O/c1-11(2,3)7(4-5-17)16-10-8(13)9(12)14-6-15-10/h6-7,17H,4-5,13H2,1-3H3,(H,14,15,16)
InChIKeyWVZQJIMVHIFZHZ-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.92
Rot. Bonds4

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

3-[(5-amino-6-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol (PubChem CID 106348328) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is 3-[(5-amino-6-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[(5-amino-6-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
PubChem CID106348328
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC Name3-[(5-amino-6-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)Nc1ncnc(Cl)c1N
InChIInChI=1S/C11H19ClN4O/c1-11(2,3)7(4-5-17)16-10-8(13)9(12)14-6-15-10/h6-7,17H,4-5,13H2,1-3H3,(H,14,15,16)
InChIKeyWVZQJIMVHIFZHZ-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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Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-6-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[(5-amino-6-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol (CID 106348328) is 3-[(5-amino-6-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[(5-amino-6-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[(5-amino-6-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol is CC(C)(C)C(CCO)Nc1ncnc(Cl)c1N.
What is the InChIKey of 3-[(5-amino-6-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
The InChIKey is WVZQJIMVHIFZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O/c1-11(2,3)7(4-5-17)16-10-8(13)9(12)14-6-15-10/h6-7,17H,4-5,13H2,1-3H3,(H,14,15,16).
What are the key properties of 3-[(5-amino-6-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
3-[(5-amino-6-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-[(5-amino-6-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106348328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).