4-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-6-ethylpyrimidine

C13H16ClN5 — CID 154580696

IUPAC4-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-6-ethylpyrimidine
SMILESCCc1cc(N2CC(Cn3cc(Cl)cn3)C2)ncn1
InChIInChI=1S/C13H16ClN5/c1-2-12-3-13(16-9-15-12)18-5-10(6-18)7-19-8-11(14)4-17-19/h3-4,8-10H,2,5-7H2,1H3
InChIKeyMGGIVTLXWXGJJU-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.03
Rot. Bonds4

About 4-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-6-ethylpyrimidine

4-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-6-ethylpyrimidine (PubChem CID 154580696) has the molecular formula C13H16ClN5 and a molecular weight of 277.76 g/mol. Its IUPAC name is 4-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-6-ethylpyrimidine.

Molecular Properties

Compound Name4-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-6-ethylpyrimidine
PubChem CID154580696
Molecular FormulaC13H16ClN5
Molecular Weight277.76 g/mol
Exact Mass277.11
IUPAC Name4-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-6-ethylpyrimidine
SMILESCCc1cc(N2CC(Cn3cc(Cl)cn3)C2)ncn1
InChIInChI=1S/C13H16ClN5/c1-2-12-3-13(16-9-15-12)18-5-10(6-18)7-19-8-11(14)4-17-19/h3-4,8-10H,2,5-7H2,1H3
InChIKeyMGGIVTLXWXGJJU-UHFFFAOYSA-N
XLogP2.03
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-ethylpyrimidin-4-yl)azetidin-3-amine
CID 63759800
2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-5-methyl-1,3-thiazole
CID 154583035
6-chloro-2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]quinoline
CID 154581218
4-[4-(chloromethyl)piperidin-1-yl]-6-ethylpyrimidine
CID 63390468
4-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 154580618
3-[[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 154583036
N-[(1-ethylpyrazol-4-yl)methyl]-1-(6-ethylpyrimidin-4-yl)piperidin-4-amine
CID 71980330
2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 154580652
2-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]acetic acid
CID 62689410
4-(4-bromo-3-methylpiperidin-1-yl)-6-ethylpyrimidine
CID 114682855
1-(6-ethylpyrimidin-4-yl)-N-methylpiperidin-3-amine
CID 62545846
4-chloro-1-[[1-(oxan-4-ylmethyl)azetidin-3-yl]methyl]pyrazole
CID 154580584

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-6-ethylpyrimidine?
The IUPAC name of 4-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-6-ethylpyrimidine (CID 154580696) is 4-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-6-ethylpyrimidine.
What is the SMILES notation for 4-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-6-ethylpyrimidine?
The canonical SMILES for 4-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-6-ethylpyrimidine is CCc1cc(N2CC(Cn3cc(Cl)cn3)C2)ncn1.
What is the InChIKey of 4-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-6-ethylpyrimidine?
The InChIKey is MGGIVTLXWXGJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5/c1-2-12-3-13(16-9-15-12)18-5-10(6-18)7-19-8-11(14)4-17-19/h3-4,8-10H,2,5-7H2,1H3.
What are the key properties of 4-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-6-ethylpyrimidine?
4-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-6-ethylpyrimidine has a molecular weight of 277.76 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-6-ethylpyrimidine is sourced from PubChem (CID 154580696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).