4-methyl-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]pyrimidine

C13H17N5 — CID 171701827

IUPAC4-methyl-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]pyrimidine
SMILESCc1cnn(CC2CN(c3nccc(C)n3)C2)c1
InChIInChI=1S/C13H17N5/c1-10-5-15-18(6-10)9-12-7-17(8-12)13-14-4-3-11(2)16-13/h3-6,12H,7-9H2,1-2H3
InChIKeyTXPVEFHFJXPCDD-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.43
Rot. Bonds3

About 4-methyl-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]pyrimidine

4-methyl-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]pyrimidine (PubChem CID 171701827) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-methyl-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]pyrimidine
PubChem CID171701827
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name4-methyl-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]pyrimidine
SMILESCc1cnn(CC2CN(c3nccc(C)n3)C2)c1
InChIInChI=1S/C13H17N5/c1-10-5-15-18(6-10)9-12-7-17(8-12)13-14-4-3-11(2)16-13/h3-6,12H,7-9H2,1-2H3
InChIKeyTXPVEFHFJXPCDD-UHFFFAOYSA-N
XLogP1.43
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methyl-s-triazolo(1,5-a)pyrimidine
CID 584230
2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine
CID 30464906
N-(1,5-dimethyl-1H-pyrazol-4-yl)-5-methyl-2-pyrimidinamine
CID 134129122
5,6-Dimethylpyrazolo[1,5-A]pyrimidine
CID 49761390
4,6-Dimethyl-2-pyrazol-1-ylpyrimidine
CID 13880919
3-methyl-1-(pyrimidin-2-yl)-1H-pyrazol-5-amine
CID 43420019
N,N-diethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 12366050
N~4~,6-dimethyl-N~4~-[3-(1H-pyrazol-1-yl)propyl]-2,4-pyrimidinediamine
CID 39782655
4-N,4-N,6-trimethyl-2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 53537047
N,N,6-trimethyl-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]pyrimidin-4-amine
CID 53586709
N,N,6-trimethyl-2-(3-pyrazol-1-ylazetidin-1-yl)pyrimidin-4-amine
CID 53613729
4-N,4-N,6-trimethyl-2-N-[2-(4-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine
CID 56778066

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]pyrimidine?
The IUPAC name of 4-methyl-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]pyrimidine (CID 171701827) is 4-methyl-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]pyrimidine?
The canonical SMILES for 4-methyl-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]pyrimidine is Cc1cnn(CC2CN(c3nccc(C)n3)C2)c1.
What is the InChIKey of 4-methyl-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]pyrimidine?
The InChIKey is TXPVEFHFJXPCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-10-5-15-18(6-10)9-12-7-17(8-12)13-14-4-3-11(2)16-13/h3-6,12H,7-9H2,1-2H3.
What are the key properties of 4-methyl-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]pyrimidine?
4-methyl-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]pyrimidine has a molecular weight of 243.31 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]pyrimidine is sourced from PubChem (CID 171701827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).