3-[6-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol

C14H19N5O — CID 91792889

IUPAC3-[6-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1n[nH]c(C)c1CNc1cc(C2CC(O)C2)ncn1
InChIInChI=1S/C14H19N5O/c1-8-12(9(2)19-18-8)6-15-14-5-13(16-7-17-14)10-3-11(20)4-10/h5,7,10-11,20H,3-4,6H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyPJUOMSZWRRRYAW-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.67
Rot. Bonds4

About 3-[6-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol

3-[6-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91792889) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[6-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91792889
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-[6-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1n[nH]c(C)c1CNc1cc(C2CC(O)C2)ncn1
InChIInChI=1S/C14H19N5O/c1-8-12(9(2)19-18-8)6-15-14-5-13(16-7-17-14)10-3-11(20)4-10/h5,7,10-11,20H,3-4,6H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyPJUOMSZWRRRYAW-UHFFFAOYSA-N
XLogP1.67
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91792889) is 3-[6-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol is Cc1n[nH]c(C)c1CNc1cc(C2CC(O)C2)ncn1.
What is the InChIKey of 3-[6-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is PJUOMSZWRRRYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-8-12(9(2)19-18-8)6-15-14-5-13(16-7-17-14)10-3-11(20)4-10/h5,7,10-11,20H,3-4,6H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of 3-[6-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 273.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91792889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).