3-[6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol

C13H17N5O — CID 91788433

IUPAC3-[6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESOC1CC(c2cc(NCCc3cn[nH]c3)ncn2)C1
InChIInChI=1S/C13H17N5O/c19-11-3-10(4-11)12-5-13(16-8-15-12)14-2-1-9-6-17-18-7-9/h5-8,10-11,19H,1-4H2,(H,17,18)(H,14,15,16)
InChIKeyLEFLAJCANXAJJH-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.09
Rot. Bonds5

About 3-[6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol

3-[6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91788433) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91788433
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name3-[6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESOC1CC(c2cc(NCCc3cn[nH]c3)ncn2)C1
InChIInChI=1S/C13H17N5O/c19-11-3-10(4-11)12-5-13(16-8-15-12)14-2-1-9-6-17-18-7-9/h5-8,10-11,19H,1-4H2,(H,17,18)(H,14,15,16)
InChIKeyLEFLAJCANXAJJH-UHFFFAOYSA-N
XLogP1.09
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-[2-(2H-triazol-4-ylsulfanyl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91764335
3-[6-[2-(furan-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91767301
3-[6-[2-(1,3-benzoxazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91761814
3-[6-[(1-propylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91780188
N-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide
CID 91771725
1-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-4,6-dimethylpyrimidin-2-one
CID 91784963
3-[6-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91780154
3-[6-[(3-chloro-2-fluorophenyl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91777911
3-[6-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91790891
5-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]pentan-1-ol;dihydrochloride
CID 154903330
3-[6-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91769908
4-methyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyridine-2-carbaldehyde
CID 170939362

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91788433) is 3-[6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol is OC1CC(c2cc(NCCc3cn[nH]c3)ncn2)C1.
What is the InChIKey of 3-[6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is LEFLAJCANXAJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c19-11-3-10(4-11)12-5-13(16-8-15-12)14-2-1-9-6-17-18-7-9/h5-8,10-11,19H,1-4H2,(H,17,18)(H,14,15,16).
What are the key properties of 3-[6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 259.31 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91788433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).