4-cyclopropyl-6-[3-(imidazol-1-ylmethyl)azetidin-1-yl]pyrimidine

C14H17N5 — CID 154580669

IUPAC4-cyclopropyl-6-[3-(imidazol-1-ylmethyl)azetidin-1-yl]pyrimidine
SMILESc1cn(CC2CN(c3cc(C4CC4)ncn3)C2)cn1
InChIInChI=1S/C14H17N5/c1-2-12(1)13-5-14(17-9-16-13)19-7-11(8-19)6-18-4-3-15-10-18/h3-5,9-12H,1-2,6-8H2
InChIKeyLJGONESIZPOBQU-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.69
Rot. Bonds4

About 4-cyclopropyl-6-[3-(imidazol-1-ylmethyl)azetidin-1-yl]pyrimidine

4-cyclopropyl-6-[3-(imidazol-1-ylmethyl)azetidin-1-yl]pyrimidine (PubChem CID 154580669) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-cyclopropyl-6-[3-(imidazol-1-ylmethyl)azetidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-6-[3-(imidazol-1-ylmethyl)azetidin-1-yl]pyrimidine
PubChem CID154580669
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name4-cyclopropyl-6-[3-(imidazol-1-ylmethyl)azetidin-1-yl]pyrimidine
SMILESc1cn(CC2CN(c3cc(C4CC4)ncn3)C2)cn1
InChIInChI=1S/C14H17N5/c1-2-12(1)13-5-14(17-9-16-13)19-7-11(8-19)6-18-4-3-15-10-18/h3-5,9-12H,1-2,6-8H2
InChIKeyLJGONESIZPOBQU-UHFFFAOYSA-N
XLogP1.69
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]methanamine
CID 126848081
4-cyclopropyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine
CID 163351027
1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-ol
CID 126850197
[1-(6-cyclohexylpyrimidin-4-yl)azetidin-3-yl]methanamine
CID 141272664
4-cyclobutyl-6-imidazol-1-ylpyrimidine;hydrochloride
CID 165434530
1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
CID 126850200
4-[3-(imidazol-1-ylmethyl)azetidin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine
CID 154580620
[(3R,5S)-1-(6-cyclopropylpyrimidin-4-yl)-5-[(dimethylamino)methyl]piperidin-3-yl]methanol
CID 133111471
6-ethyl-4-[3-(imidazol-1-ylmethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine
CID 154583376
4-cyclohexyl-6-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine
CID 167796179
4-cyclopropyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidine
CID 72839959
5-(6-cyclopropylpyrimidin-4-yl)-2-[2-(triazol-1-yl)ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126932770

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-[3-(imidazol-1-ylmethyl)azetidin-1-yl]pyrimidine?
The IUPAC name of 4-cyclopropyl-6-[3-(imidazol-1-ylmethyl)azetidin-1-yl]pyrimidine (CID 154580669) is 4-cyclopropyl-6-[3-(imidazol-1-ylmethyl)azetidin-1-yl]pyrimidine.
What is the SMILES notation for 4-cyclopropyl-6-[3-(imidazol-1-ylmethyl)azetidin-1-yl]pyrimidine?
The canonical SMILES for 4-cyclopropyl-6-[3-(imidazol-1-ylmethyl)azetidin-1-yl]pyrimidine is c1cn(CC2CN(c3cc(C4CC4)ncn3)C2)cn1.
What is the InChIKey of 4-cyclopropyl-6-[3-(imidazol-1-ylmethyl)azetidin-1-yl]pyrimidine?
The InChIKey is LJGONESIZPOBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-2-12(1)13-5-14(17-9-16-13)19-7-11(8-19)6-18-4-3-15-10-18/h3-5,9-12H,1-2,6-8H2.
What are the key properties of 4-cyclopropyl-6-[3-(imidazol-1-ylmethyl)azetidin-1-yl]pyrimidine?
4-cyclopropyl-6-[3-(imidazol-1-ylmethyl)azetidin-1-yl]pyrimidine has a molecular weight of 255.32 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-[3-(imidazol-1-ylmethyl)azetidin-1-yl]pyrimidine is sourced from PubChem (CID 154580669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).