3-[2-methyl-6-[2-(1H-pyrazol-5-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol

C14H19N5O — CID 91761641

IUPAC3-[2-methyl-6-[2-(1H-pyrazol-5-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(NCCc2ccn[nH]2)cc(C2CC(O)C2)n1
InChIInChI=1S/C14H19N5O/c1-9-17-13(10-6-12(20)7-10)8-14(18-9)15-4-2-11-3-5-16-19-11/h3,5,8,10,12,20H,2,4,6-7H2,1H3,(H,16,19)(H,15,17,18)
InChIKeyUDKZXRKDLRDYRF-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.40
Rot. Bonds5

About 3-[2-methyl-6-[2-(1H-pyrazol-5-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol

3-[2-methyl-6-[2-(1H-pyrazol-5-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91761641) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[2-methyl-6-[2-(1H-pyrazol-5-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-methyl-6-[2-(1H-pyrazol-5-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91761641
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-[2-methyl-6-[2-(1H-pyrazol-5-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(NCCc2ccn[nH]2)cc(C2CC(O)C2)n1
InChIInChI=1S/C14H19N5O/c1-9-17-13(10-6-12(20)7-10)8-14(18-9)15-4-2-11-3-5-16-19-11/h3,5,8,10,12,20H,2,4,6-7H2,1H3,(H,16,19)(H,15,17,18)
InChIKeyUDKZXRKDLRDYRF-UHFFFAOYSA-N
XLogP1.40
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[2-methyl-6-[2-(1H-pyrazol-5-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-6-[2-(1H-pyrazol-5-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-methyl-6-[2-(1H-pyrazol-5-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91761641) is 3-[2-methyl-6-[2-(1H-pyrazol-5-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-methyl-6-[2-(1H-pyrazol-5-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-methyl-6-[2-(1H-pyrazol-5-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol is Cc1nc(NCCc2ccn[nH]2)cc(C2CC(O)C2)n1.
What is the InChIKey of 3-[2-methyl-6-[2-(1H-pyrazol-5-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is UDKZXRKDLRDYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-9-17-13(10-6-12(20)7-10)8-14(18-9)15-4-2-11-3-5-16-19-11/h3,5,8,10,12,20H,2,4,6-7H2,1H3,(H,16,19)(H,15,17,18).
What are the key properties of 3-[2-methyl-6-[2-(1H-pyrazol-5-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-methyl-6-[2-(1H-pyrazol-5-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 273.34 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-6-[2-(1H-pyrazol-5-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91761641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).