4-[(2,6-dichloropyrimidin-4-yl)amino]-2-methylbutan-2-ol

C9H13Cl2N3O — CID 130570519

IUPAC4-[(2,6-dichloropyrimidin-4-yl)amino]-2-methylbutan-2-ol
SMILESCC(C)(O)CCNc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C9H13Cl2N3O/c1-9(2,15)3-4-12-7-5-6(10)13-8(11)14-7/h5,15H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyQLJFNGPKVXKMEJ-UHFFFAOYSA-N
MW250.13 g/mol
LogP2.36
Rot. Bonds4

About 4-[(2,6-dichloropyrimidin-4-yl)amino]-2-methylbutan-2-ol

4-[(2,6-dichloropyrimidin-4-yl)amino]-2-methylbutan-2-ol (PubChem CID 130570519) has the molecular formula C9H13Cl2N3O and a molecular weight of 250.13 g/mol. Its IUPAC name is 4-[(2,6-dichloropyrimidin-4-yl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[(2,6-dichloropyrimidin-4-yl)amino]-2-methylbutan-2-ol
PubChem CID130570519
Molecular FormulaC9H13Cl2N3O
Molecular Weight250.13 g/mol
Exact Mass249.04
IUPAC Name4-[(2,6-dichloropyrimidin-4-yl)amino]-2-methylbutan-2-ol
SMILESCC(C)(O)CCNc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C9H13Cl2N3O/c1-9(2,15)3-4-12-7-5-6(10)13-8(11)14-7/h5,15H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyQLJFNGPKVXKMEJ-UHFFFAOYSA-N
XLogP2.36
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.13
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol
CID 90456586
2-[(2,6-dichloropyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 130569693
3-[(2,6-dichloropyrimidin-4-yl)amino]propyl methanesulfonate
CID 142795094
4-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]butan-1-ol
CID 106842915
2,6-dichloro-N-[(E)-pent-2-enyl]pyrimidin-4-amine
CID 131244442
2-[(2,6-dichloropyrimidin-4-yl)amino]-2-ethylbutan-1-ol
CID 130252006
2,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine
CID 130569788
5-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 107318321
2,6-dichloro-N-(2,2-diethoxyethyl)pyrimidin-4-amine
CID 131886166
2-tert-butyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine
CID 80948792
6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100
2-[(2,6-dichloropyrimidin-4-yl)amino]propan-1-ol
CID 90302031

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichloropyrimidin-4-yl)amino]-2-methylbutan-2-ol?
The IUPAC name of 4-[(2,6-dichloropyrimidin-4-yl)amino]-2-methylbutan-2-ol (CID 130570519) is 4-[(2,6-dichloropyrimidin-4-yl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[(2,6-dichloropyrimidin-4-yl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 4-[(2,6-dichloropyrimidin-4-yl)amino]-2-methylbutan-2-ol is CC(C)(O)CCNc1cc(Cl)nc(Cl)n1.
What is the InChIKey of 4-[(2,6-dichloropyrimidin-4-yl)amino]-2-methylbutan-2-ol?
The InChIKey is QLJFNGPKVXKMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2N3O/c1-9(2,15)3-4-12-7-5-6(10)13-8(11)14-7/h5,15H,3-4H2,1-2H3,(H,12,13,14).
What are the key properties of 4-[(2,6-dichloropyrimidin-4-yl)amino]-2-methylbutan-2-ol?
4-[(2,6-dichloropyrimidin-4-yl)amino]-2-methylbutan-2-ol has a molecular weight of 250.13 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichloropyrimidin-4-yl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 130570519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).