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

C11H17ClFN3O — CID 107154908

IUPAC1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNc1nc(Cl)ncc1F
InChIInChI=1S/C11H17ClFN3O/c1-11(2,3)4-7(17)5-14-9-8(13)6-15-10(12)16-9/h6-7,17H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyWQICAGYGWQVLHT-UHFFFAOYSA-N
MW261.73 g/mol
LogP2.48
Rot. Bonds4

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

1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol (PubChem CID 107154908) 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]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
PubChem CID107154908
Molecular FormulaC11H17ClFN3O
Molecular Weight261.73 g/mol
Exact Mass261.10
IUPAC Name1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNc1nc(Cl)ncc1F
InChIInChI=1S/C11H17ClFN3O/c1-11(2,3)4-7(17)5-14-9-8(13)6-15-10(12)16-9/h6-7,17H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyWQICAGYGWQVLHT-UHFFFAOYSA-N
XLogP2.48
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

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

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Related Compounds

3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 89350737
1-[(3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol
CID 107153237
3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106116858
1-[(3,5-dichloro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol
CID 107153275
2-chloro-5-fluoro-N-(2-methylprop-2-enyl)pyrimidin-4-amine
CID 106196739
1-[(3,6-dimethylpyrazin-2-yl)amino]-4,4-dimethylpentan-2-ol
CID 104695495
2-chloro-5-fluoro-N-(2-piperidin-1-ylpropyl)pyrimidin-4-amine
CID 79080736
3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
CID 106192316
2-chloro-5-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine
CID 79080884
2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]acetaldehyde
CID 144524203
2-chloro-5-fluoro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine
CID 106194210
1-[(2-amino-5-bromopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107159495

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol (CID 107154908) is 1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol is CC(C)(C)CC(O)CNc1nc(Cl)ncc1F.
What is the InChIKey of 1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol?
The InChIKey is WQICAGYGWQVLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClFN3O/c1-11(2,3)4-7(17)5-14-9-8(13)6-15-10(12)16-9/h6-7,17H,4-5H2,1-3H3,(H,14,15,16).
What are the key properties of 1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol?
1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol has a molecular weight of 261.73 g/mol, XLogP of 2.48, 4 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]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 107154908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).