5-[1-(1H-imidazol-5-yl)-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-6-yl]pyrimidine

C17H14N4O — CID 75162588

IUPAC5-[1-(1H-imidazol-5-yl)-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-6-yl]pyrimidine
SMILESc1ncc(-c2ccc3c(c2)C2C(CO3)C2c2cnc[nH]2)cn1
InChIInChI=1S/C17H14N4O/c1-2-15-12(3-10(1)11-4-18-8-19-5-11)16-13(7-22-15)17(16)14-6-20-9-21-14/h1-6,8-9,13,16-17H,7H2,(H,20,21)
InChIKeyBSEFLQVJTZZARC-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.76
Rot. Bonds2

About 5-[1-(1H-imidazol-5-yl)-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-6-yl]pyrimidine

5-[1-(1H-imidazol-5-yl)-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-6-yl]pyrimidine (PubChem CID 75162588) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 5-[1-(1H-imidazol-5-yl)-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-6-yl]pyrimidine.

Molecular Properties

Compound Name5-[1-(1H-imidazol-5-yl)-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-6-yl]pyrimidine
PubChem CID75162588
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name5-[1-(1H-imidazol-5-yl)-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-6-yl]pyrimidine
SMILESc1ncc(-c2ccc3c(c2)C2C(CO3)C2c2cnc[nH]2)cn1
InChIInChI=1S/C17H14N4O/c1-2-15-12(3-10(1)11-4-18-8-19-5-11)16-13(7-22-15)17(16)14-6-20-9-21-14/h1-6,8-9,13,16-17H,7H2,(H,20,21)
InChIKeyBSEFLQVJTZZARC-UHFFFAOYSA-N
XLogP2.76
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1S,1aS,7bS)-1-(1H-imidazol-5-yl)-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-6-yl]pyrimidine
CID 46176396
N-[(1S,1aS,7bS)-1-(1H-imidazol-5-yl)-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-6-yl]-N-ethylpropanamide
CID 58373645
(3S)-3-methyl-7-pyrimidin-5-yl-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 172908762
5-[3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-yl]pyrimidine
CID 59435380
5-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole
CID 16663246
5-(3-deuteriooxetan-3-yl)-1H-imidazole
CID 175941981
2-fluoro-5-pyrimidin-5-ylaniline
CID 165490081
2-(7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 82543388
(4aS,10R,10aS)-8-pyrimidin-5-ylspiro[3,4,4a,10a-tetrahydro-1H-pyrano[4,3-b]chromene-10,4'-5H-1,3-thiazole]-2'-amine
CID 67971881
(4aS,10R)-8-pyrimidin-5-ylspiro[3,4,4a,10a-tetrahydro-1H-pyrano[4,3-b]chromene-10,4'-5H-1,3-thiazole]-2'-amine
CID 163739028
4-[(4-ethylphenyl)methyl]-3-methyl-7-pyrimidin-5-yl-3,5-dihydro-2H-1,4-benzoxazepine
CID 171145074
4-(1H-imidazol-5-yl)-1,3-oxazolidin-2-one
CID 57157791

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1H-imidazol-5-yl)-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-6-yl]pyrimidine?
The IUPAC name of 5-[1-(1H-imidazol-5-yl)-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-6-yl]pyrimidine (CID 75162588) is 5-[1-(1H-imidazol-5-yl)-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-6-yl]pyrimidine.
What is the SMILES notation for 5-[1-(1H-imidazol-5-yl)-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-6-yl]pyrimidine?
The canonical SMILES for 5-[1-(1H-imidazol-5-yl)-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-6-yl]pyrimidine is c1ncc(-c2ccc3c(c2)C2C(CO3)C2c2cnc[nH]2)cn1.
What is the InChIKey of 5-[1-(1H-imidazol-5-yl)-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-6-yl]pyrimidine?
The InChIKey is BSEFLQVJTZZARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-2-15-12(3-10(1)11-4-18-8-19-5-11)16-13(7-22-15)17(16)14-6-20-9-21-14/h1-6,8-9,13,16-17H,7H2,(H,20,21).
What are the key properties of 5-[1-(1H-imidazol-5-yl)-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-6-yl]pyrimidine?
5-[1-(1H-imidazol-5-yl)-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-6-yl]pyrimidine has a molecular weight of 290.33 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1H-imidazol-5-yl)-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-6-yl]pyrimidine is sourced from PubChem (CID 75162588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).