4-cyclopropyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine

C17H23N5 — CID 163351027

IUPAC4-cyclopropyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine
SMILESCC(C)c1nccn1CC1CN(c2cc(C3CC3)ncn2)C1
InChIInChI=1S/C17H23N5/c1-12(2)17-18-5-6-21(17)8-13-9-22(10-13)16-7-15(14-3-4-14)19-11-20-16/h5-7,11-14H,3-4,8-10H2,1-2H3
InChIKeySKKYRSHGZNFAGI-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.81
Rot. Bonds5

About 4-cyclopropyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine

4-cyclopropyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine (PubChem CID 163351027) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 4-cyclopropyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine
PubChem CID163351027
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name4-cyclopropyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine
SMILESCC(C)c1nccn1CC1CN(c2cc(C3CC3)ncn2)C1
InChIInChI=1S/C17H23N5/c1-12(2)17-18-5-6-21(17)8-13-9-22(10-13)16-7-15(14-3-4-14)19-11-20-16/h5-7,11-14H,3-4,8-10H2,1-2H3
InChIKeySKKYRSHGZNFAGI-UHFFFAOYSA-N
XLogP2.81
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine
CID 163350969
4-cyclopropyl-6-[3-(imidazol-1-ylmethyl)azetidin-1-yl]pyrimidine
CID 154580669
[1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]methanamine
CID 126848081
4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 163351002
6-fluoro-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]quinazoline
CID 163352972
6-ethyl-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]thieno[2,3-d]pyrimidine
CID 163352974
4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyridine-2-carbonitrile
CID 163351014
1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-ol
CID 126850197
[1-(6-cyclohexylpyrimidin-4-yl)azetidin-3-yl]methanamine
CID 141272664
1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
CID 126850200
[(3R,5S)-1-(6-cyclopropylpyrimidin-4-yl)-5-[(dimethylamino)methyl]piperidin-3-yl]methanol
CID 133111471
6-methoxy-2-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole
CID 163353016

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine?
The IUPAC name of 4-cyclopropyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine (CID 163351027) is 4-cyclopropyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine.
What is the SMILES notation for 4-cyclopropyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine?
The canonical SMILES for 4-cyclopropyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine is CC(C)c1nccn1CC1CN(c2cc(C3CC3)ncn2)C1.
What is the InChIKey of 4-cyclopropyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine?
The InChIKey is SKKYRSHGZNFAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-12(2)17-18-5-6-21(17)8-13-9-22(10-13)16-7-15(14-3-4-14)19-11-20-16/h5-7,11-14H,3-4,8-10H2,1-2H3.
What are the key properties of 4-cyclopropyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine?
4-cyclopropyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine has a molecular weight of 297.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine is sourced from PubChem (CID 163351027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).