3-[6-[(3-chloro-2-fluorophenyl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol

C15H15ClFN3O — CID 91777911

IUPAC3-[6-[(3-chloro-2-fluorophenyl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESOC1CC(c2cc(NCc3cccc(Cl)c3F)ncn2)C1
InChIInChI=1S/C15H15ClFN3O/c16-12-3-1-2-9(15(12)17)7-18-14-6-13(19-8-20-14)10-4-11(21)5-10/h1-3,6,8,10-11,21H,4-5,7H2,(H,18,19,20)
InChIKeyPDWFMUCJLBXLRN-UHFFFAOYSA-N
MW307.76 g/mol
LogP3.12
Rot. Bonds4

About 3-[6-[(3-chloro-2-fluorophenyl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol

3-[6-[(3-chloro-2-fluorophenyl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91777911) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is 3-[6-[(3-chloro-2-fluorophenyl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[(3-chloro-2-fluorophenyl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91777911
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC Name3-[6-[(3-chloro-2-fluorophenyl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESOC1CC(c2cc(NCc3cccc(Cl)c3F)ncn2)C1
InChIInChI=1S/C15H15ClFN3O/c16-12-3-1-2-9(15(12)17)7-18-14-6-13(19-8-20-14)10-4-11(21)5-10/h1-3,6,8,10-11,21H,4-5,7H2,(H,18,19,20)
InChIKeyPDWFMUCJLBXLRN-UHFFFAOYSA-N
XLogP3.12
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91790891
3-[6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91782471
3-[6-[2-(furan-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91767301
3-[6-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91769908
6-(3-aminocyclobutyl)-N-[(2,3-dimethoxyphenyl)methyl]pyrimidin-4-amine;dihydrochloride
CID 154901954
3-[6-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91780154
6-(3-aminocyclobutyl)-N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]pyrimidin-4-amine;dihydrochloride
CID 154901870
3-[6-[2-(1,3-benzoxazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91761814
2,4,6-trichloro-N-[(3-chloro-2-fluorophenyl)methyl]aniline
CID 114487265
4-N-[(2-chlorophenyl)methyl]-6-N-ethylpyrimidine-4,6-diamine
CID 80784844
6-cyclobutyl-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 171997091
N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine
CID 79033184

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3-chloro-2-fluorophenyl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[(3-chloro-2-fluorophenyl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91777911) is 3-[6-[(3-chloro-2-fluorophenyl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[(3-chloro-2-fluorophenyl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[(3-chloro-2-fluorophenyl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol is OC1CC(c2cc(NCc3cccc(Cl)c3F)ncn2)C1.
What is the InChIKey of 3-[6-[(3-chloro-2-fluorophenyl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is PDWFMUCJLBXLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c16-12-3-1-2-9(15(12)17)7-18-14-6-13(19-8-20-14)10-4-11(21)5-10/h1-3,6,8,10-11,21H,4-5,7H2,(H,18,19,20).
What are the key properties of 3-[6-[(3-chloro-2-fluorophenyl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[(3-chloro-2-fluorophenyl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 307.76 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3-chloro-2-fluorophenyl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91777911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).