1-[(2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol

C10H16ClN3O — CID 130162610

IUPAC1-[(2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CNc1ccnc(Cl)n1
InChIInChI=1S/C10H16ClN3O/c1-7(2)10(3,15)6-13-8-4-5-12-9(11)14-8/h4-5,7,15H,6H2,1-3H3,(H,12,13,14)
InChIKeyHXCBDGCLCODXKC-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.95
Rot. Bonds4

About 1-[(2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol

1-[(2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol (PubChem CID 130162610) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 1-[(2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[(2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
PubChem CID130162610
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name1-[(2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CNc1ccnc(Cl)n1
InChIInChI=1S/C10H16ClN3O/c1-7(2)10(3,15)6-13-8-4-5-12-9(11)14-8/h4-5,7,15H,6H2,1-3H3,(H,12,13,14)
InChIKeyHXCBDGCLCODXKC-UHFFFAOYSA-N
XLogP1.95
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(2-chloropyrimidin-4-yl)amino]propan-2-ol
CID 94405682
3-[(2-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 103761458
1-N-(2-chloropyrimidin-4-yl)propane-1,2-diamine;propane
CID 145372300
2-chloro-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-4-amine
CID 62342670
1-[(2-chloropyrimidin-4-yl)amino]pentan-2-ol
CID 115695381
(2R)-2,3-dimethyl-1-(quinoxalin-2-ylamino)butan-2-ol
CID 95624706
2-chloro-N-(3-methylbutan-2-yl)pyrimidin-4-amine
CID 62338504
2-chloro-N-[(2R)-3-methylbutan-2-yl]pyrimidin-4-amine
CID 94405665
2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine
CID 62344273
N-but-2-ynyl-2-chloropyrimidin-4-amine
CID 103918065
2-[(2-chloropyrimidin-4-yl)amino]-N-methylacetamide
CID 62341681
ethyl 2-[(2-chloropyrimidin-4-yl)amino]acetate
CID 62342073

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-[(2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol (CID 130162610) is 1-[(2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[(2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[(2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol is CC(C)C(C)(O)CNc1ccnc(Cl)n1.
What is the InChIKey of 1-[(2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol?
The InChIKey is HXCBDGCLCODXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-7(2)10(3,15)6-13-8-4-5-12-9(11)14-8/h4-5,7,15H,6H2,1-3H3,(H,12,13,14).
What are the key properties of 1-[(2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol?
1-[(2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol has a molecular weight of 229.71 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 130162610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).