2-cyclopropyl-4-(3,5-difluorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]pyrimidine

C21H16F2N6 — CID 27056105

IUPAC2-cyclopropyl-4-(3,5-difluorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]pyrimidine
SMILESCc1ccc(-n2nnnc2-c2cnc(C3CC3)nc2-c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C21H16F2N6/c1-12-2-6-17(7-3-12)29-21(26-27-28-29)18-11-24-20(13-4-5-13)25-19(18)14-8-15(22)10-16(23)9-14/h2-3,6-11,13H,4-5H2,1H3
InChIKeyWMWOYWUNHMYLCD-UHFFFAOYSA-N
MW390.40 g/mol
LogP4.25
Rot. Bonds4

About 2-cyclopropyl-4-(3,5-difluorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]pyrimidine

2-cyclopropyl-4-(3,5-difluorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]pyrimidine (PubChem CID 27056105) has the molecular formula C21H16F2N6 and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-cyclopropyl-4-(3,5-difluorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4-(3,5-difluorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]pyrimidine
PubChem CID27056105
Molecular FormulaC21H16F2N6
Molecular Weight390.40 g/mol
Exact Mass390.14
IUPAC Name2-cyclopropyl-4-(3,5-difluorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]pyrimidine
SMILESCc1ccc(-n2nnnc2-c2cnc(C3CC3)nc2-c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C21H16F2N6/c1-12-2-6-17(7-3-12)29-21(26-27-28-29)18-11-24-20(13-4-5-13)25-19(18)14-8-15(22)10-16(23)9-14/h2-3,6-11,13H,4-5H2,1H3
InChIKeyWMWOYWUNHMYLCD-UHFFFAOYSA-N
XLogP4.25
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(4-methylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine
CID 2825873
4-(4-chlorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]pyrimidin-2-amine
CID 2825682
2-[[4-(2,4-difluorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]pyrimidin-2-yl]amino]acetic acid
CID 27056141
5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(3-fluorophenyl)-N-methylpyrimidin-2-amine
CID 27001624
4-(2-fluorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]-2-thiophen-2-ylpyrimidine
CID 1046859
5-[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1-(4-methylphenyl)tetrazole
CID 1046800
5-[1-(4-fluorophenyl)tetrazol-5-yl]-4-methyl-2-phenylpyrimidine
CID 15123640
5-[1-(4-methylphenyl)tetrazol-5-yl]-2-pyridin-3-yl-4-(trifluoromethyl)pyrimidine
CID 5222986
4-(3-chlorophenyl)-2-methyl-5-(1-phenyltetrazol-5-yl)pyrimidine
CID 2801876
5-[1-(4-ethylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine
CID 3610610
2,4-dimethyl-5-[1-(4-methylphenyl)tetrazol-5-yl]aniline
CID 102706325
4-(3-chlorophenyl)-2-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidine
CID 2801877

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(3,5-difluorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]pyrimidine?
The IUPAC name of 2-cyclopropyl-4-(3,5-difluorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]pyrimidine (CID 27056105) is 2-cyclopropyl-4-(3,5-difluorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]pyrimidine.
What is the SMILES notation for 2-cyclopropyl-4-(3,5-difluorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]pyrimidine?
The canonical SMILES for 2-cyclopropyl-4-(3,5-difluorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]pyrimidine is Cc1ccc(-n2nnnc2-c2cnc(C3CC3)nc2-c2cc(F)cc(F)c2)cc1.
What is the InChIKey of 2-cyclopropyl-4-(3,5-difluorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]pyrimidine?
The InChIKey is WMWOYWUNHMYLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N6/c1-12-2-6-17(7-3-12)29-21(26-27-28-29)18-11-24-20(13-4-5-13)25-19(18)14-8-15(22)10-16(23)9-14/h2-3,6-11,13H,4-5H2,1H3.
What are the key properties of 2-cyclopropyl-4-(3,5-difluorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]pyrimidine?
2-cyclopropyl-4-(3,5-difluorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]pyrimidine has a molecular weight of 390.40 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(3,5-difluorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]pyrimidine is sourced from PubChem (CID 27056105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).