4-methyl-6-[3-(4-methyl-1H-pyrazol-5-yl)azetidin-1-yl]pyrimidine

C12H15N5 — CID 73440562

IUPAC4-methyl-6-[3-(4-methyl-1H-pyrazol-5-yl)azetidin-1-yl]pyrimidine
SMILESCc1cc(N2CC(c3[nH]ncc3C)C2)ncn1
InChIInChI=1S/C12H15N5/c1-8-4-15-16-12(8)10-5-17(6-10)11-3-9(2)13-7-14-11/h3-4,7,10H,5-6H2,1-2H3,(H,15,16)
InChIKeySFCPAWZTHIMCPS-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.42
Rot. Bonds2

About 4-methyl-6-[3-(4-methyl-1H-pyrazol-5-yl)azetidin-1-yl]pyrimidine

4-methyl-6-[3-(4-methyl-1H-pyrazol-5-yl)azetidin-1-yl]pyrimidine (PubChem CID 73440562) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 4-methyl-6-[3-(4-methyl-1H-pyrazol-5-yl)azetidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-6-[3-(4-methyl-1H-pyrazol-5-yl)azetidin-1-yl]pyrimidine
PubChem CID73440562
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name4-methyl-6-[3-(4-methyl-1H-pyrazol-5-yl)azetidin-1-yl]pyrimidine
SMILESCc1cc(N2CC(c3[nH]ncc3C)C2)ncn1
InChIInChI=1S/C12H15N5/c1-8-4-15-16-12(8)10-5-17(6-10)11-3-9(2)13-7-14-11/h3-4,7,10H,5-6H2,1-2H3,(H,15,16)
InChIKeySFCPAWZTHIMCPS-UHFFFAOYSA-N
XLogP1.42
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[3-(4-methyl-1H-pyrazol-5-yl)azetidin-1-yl]pyrimidine?
The IUPAC name of 4-methyl-6-[3-(4-methyl-1H-pyrazol-5-yl)azetidin-1-yl]pyrimidine (CID 73440562) is 4-methyl-6-[3-(4-methyl-1H-pyrazol-5-yl)azetidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methyl-6-[3-(4-methyl-1H-pyrazol-5-yl)azetidin-1-yl]pyrimidine?
The canonical SMILES for 4-methyl-6-[3-(4-methyl-1H-pyrazol-5-yl)azetidin-1-yl]pyrimidine is Cc1cc(N2CC(c3[nH]ncc3C)C2)ncn1.
What is the InChIKey of 4-methyl-6-[3-(4-methyl-1H-pyrazol-5-yl)azetidin-1-yl]pyrimidine?
The InChIKey is SFCPAWZTHIMCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-8-4-15-16-12(8)10-5-17(6-10)11-3-9(2)13-7-14-11/h3-4,7,10H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-6-[3-(4-methyl-1H-pyrazol-5-yl)azetidin-1-yl]pyrimidine?
4-methyl-6-[3-(4-methyl-1H-pyrazol-5-yl)azetidin-1-yl]pyrimidine has a molecular weight of 229.29 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[3-(4-methyl-1H-pyrazol-5-yl)azetidin-1-yl]pyrimidine is sourced from PubChem (CID 73440562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).