3-[(6-amino-5-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol

C10H17ClN4O — CID 106198207

IUPAC3-[(6-amino-5-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)Nc1ncnc(N)c1Cl
InChIInChI=1S/C10H17ClN4O/c1-9(2,10(3,4)16)15-8-6(11)7(12)13-5-14-8/h5,16H,1-4H3,(H3,12,13,14,15)
InChIKeyJZRLXUMWPZDUFG-UHFFFAOYSA-N
MW244.73 g/mol
LogP1.67
Rot. Bonds3

About 3-[(6-amino-5-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol

3-[(6-amino-5-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol (PubChem CID 106198207) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is 3-[(6-amino-5-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[(6-amino-5-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
PubChem CID106198207
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC Name3-[(6-amino-5-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)Nc1ncnc(N)c1Cl
InChIInChI=1S/C10H17ClN4O/c1-9(2,10(3,4)16)15-8-6(11)7(12)13-5-14-8/h5,16H,1-4H3,(H3,12,13,14,15)
InChIKeyJZRLXUMWPZDUFG-UHFFFAOYSA-N
XLogP1.67
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(6-amino-5-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol with MolForge

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Related Compounds

3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
CID 106198513
5-chloro-4-N-(2,2-dimethylpropyl)pyrimidine-4,6-diamine
CID 106811895
3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol
CID 114157090
(2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]propan-2-ol
CID 130619296
5-chloro-4-N-[(1-methylcyclopropyl)methyl]pyrimidine-4,6-diamine
CID 106812191
3-[(6-amino-5-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106358031
3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
CID 106198571
5-chloro-4-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 106811696
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2,3-dimethylbutan-2-ol
CID 106185428
5-chloro-4-N-[2-(dimethylamino)propyl]pyrimidine-4,6-diamine
CID 106811925
5-chloro-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 106812270
3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
CID 106198550

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-5-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[(6-amino-5-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol (CID 106198207) is 3-[(6-amino-5-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[(6-amino-5-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[(6-amino-5-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol is CC(C)(O)C(C)(C)Nc1ncnc(N)c1Cl.
What is the InChIKey of 3-[(6-amino-5-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol?
The InChIKey is JZRLXUMWPZDUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O/c1-9(2,10(3,4)16)15-8-6(11)7(12)13-5-14-8/h5,16H,1-4H3,(H3,12,13,14,15).
What are the key properties of 3-[(6-amino-5-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol?
3-[(6-amino-5-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol has a molecular weight of 244.73 g/mol, XLogP of 1.67, 3 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]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 106198207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).