1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol

C11H17ClFN3O — CID 79075700

IUPAC1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNc1nc(Cl)ncc1F
InChIInChI=1S/C11H17ClFN3O/c1-7(2)4-11(3,17)6-15-9-8(13)5-14-10(12)16-9/h5,7,17H,4,6H2,1-3H3,(H,14,15,16)
InChIKeyRDHLPPXODWVREQ-UHFFFAOYSA-N
MW261.73 g/mol
LogP2.48
Rot. Bonds5

About 1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol

1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol (PubChem CID 79075700) has the molecular formula C11H17ClFN3O and a molecular weight of 261.73 g/mol. Its IUPAC name is 1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
PubChem CID79075700
Molecular FormulaC11H17ClFN3O
Molecular Weight261.73 g/mol
Exact Mass261.10
IUPAC Name1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNc1nc(Cl)ncc1F
InChIInChI=1S/C11H17ClFN3O/c1-7(2)4-11(3,17)6-15-9-8(13)5-14-10(12)16-9/h5,7,17H,4,6H2,1-3H3,(H,14,15,16)
InChIKeyRDHLPPXODWVREQ-UHFFFAOYSA-N
XLogP2.48
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol (CID 79075700) is 1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol is CC(C)CC(C)(O)CNc1nc(Cl)ncc1F.
What is the InChIKey of 1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol?
The InChIKey is RDHLPPXODWVREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClFN3O/c1-7(2)4-11(3,17)6-15-9-8(13)5-14-10(12)16-9/h5,7,17H,4,6H2,1-3H3,(H,14,15,16).
What are the key properties of 1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol?
1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol has a molecular weight of 261.73 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 79075700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).