3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol

C10H13ClFN3O — CID 114630356

IUPAC3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1nc(Cl)ncc1F
InChIInChI=1S/C10H13ClFN3O/c1-10(2)6(3-7(10)16)14-8-5(12)4-13-9(11)15-8/h4,6-7,16H,3H2,1-2H3,(H,13,14,15)
InChIKeyFWAFOIAZNQYCEO-UHFFFAOYSA-N
MW245.69 g/mol
LogP1.84
Rot. Bonds2

About 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol

3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 114630356) has the molecular formula C10H13ClFN3O and a molecular weight of 245.69 g/mol. Its IUPAC name is 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
PubChem CID114630356
Molecular FormulaC10H13ClFN3O
Molecular Weight245.69 g/mol
Exact Mass245.07
IUPAC Name3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1nc(Cl)ncc1F
InChIInChI=1S/C10H13ClFN3O/c1-10(2)6(3-7(10)16)14-8-5(12)4-13-9(11)15-8/h4,6-7,16H,3H2,1-2H3,(H,13,14,15)
InChIKeyFWAFOIAZNQYCEO-UHFFFAOYSA-N
XLogP1.84
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.69
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114632994
3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-hydroxy-1-methylcyclohexane-1-carboxylic acid
CID 141284485
2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine
CID 3573094
3-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 103322667
N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-5-fluoropyrimidin-4-amine
CID 79075583
cis-(2S,6R)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-6-methoxycyclohexan-1-ol
CID 88589933
2-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,2-diamine
CID 88589836
N-(2-chloro-5-fluoropyrimidin-4-yl)-1-methylcyclopropane-1-carboxamide
CID 130593845
3-[(3,5-dibromo-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114630231
3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol
CID 114630384
3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114630405
4-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,4-diamine
CID 89143426

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol (CID 114630356) is 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol is CC1(C)C(O)CC1Nc1nc(Cl)ncc1F.
What is the InChIKey of 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is FWAFOIAZNQYCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN3O/c1-10(2)6(3-7(10)16)14-8-5(12)4-13-9(11)15-8/h4,6-7,16H,3H2,1-2H3,(H,13,14,15).
What are the key properties of 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol?
3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 245.69 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 114630356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).