6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2,3,5,7-tetrazatricyclo[6.4.1.04,13]trideca-1(13),3,5,7-tetraene

C17H18N6O — CID 171405873

IUPAC6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2,3,5,7-tetrazatricyclo[6.4.1.04,13]trideca-1(13),3,5,7-tetraene
SMILESCOc1ncnc(C2CC2)c1-c1nc2c3c([nH]nc3n1)CCCC2
InChIInChI=1S/C17H18N6O/c1-24-17-13(14(9-6-7-9)18-8-19-17)15-20-10-4-2-3-5-11-12(10)16(21-15)23-22-11/h8-9H,2-7H2,1H3,(H,20,21,22,23)
InChIKeyMOGHFVBJCCDIKS-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.57
Rot. Bonds3

About 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2,3,5,7-tetrazatricyclo[6.4.1.04,13]trideca-1(13),3,5,7-tetraene

6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2,3,5,7-tetrazatricyclo[6.4.1.04,13]trideca-1(13),3,5,7-tetraene (PubChem CID 171405873) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2,3,5,7-tetrazatricyclo[6.4.1.04,13]trideca-1(13),3,5,7-tetraene.

Molecular Properties

Compound Name6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2,3,5,7-tetrazatricyclo[6.4.1.04,13]trideca-1(13),3,5,7-tetraene
PubChem CID171405873
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2,3,5,7-tetrazatricyclo[6.4.1.04,13]trideca-1(13),3,5,7-tetraene
SMILESCOc1ncnc(C2CC2)c1-c1nc2c3c([nH]nc3n1)CCCC2
InChIInChI=1S/C17H18N6O/c1-24-17-13(14(9-6-7-9)18-8-19-17)15-20-10-4-2-3-5-11-12(10)16(21-15)23-22-11/h8-9H,2-7H2,1H3,(H,20,21,22,23)
InChIKeyMOGHFVBJCCDIKS-UHFFFAOYSA-N
XLogP2.57
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2,3,5,7-tetrazatricyclo[6.4.1.04,13]trideca-1(13),3,5,7-tetraene with MolForge

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Related Compounds

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-pyrrolidin-1-yl-7H-purine
CID 177142081
4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-ethyl-1,3,5-triazin-2-amine
CID 177165307
5-chloro-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-methylsulfanylpyrimidine
CID 172585981
4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 177165344
N-[[4-[[(Z)-4-amino-5,5,5-trifluoropent-3-en-2-ylidene]amino]phenyl]methyl]-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-imino-7,8-dihydro-6H-quinazolin-4-amine
CID 171405881
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(difluoromethyl)-4-methylsulfanylpyrimidine
CID 172586320
3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,3-c]azepine
CID 176669259
N-(4-cyclopropyl-6-methoxypyrimidin-5-yl)hydroxylamine
CID 172585709
4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholine
CID 178074563
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-[2-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]cyclohexa-1,3-dien-1-yl]pyrrolidin-1-yl]-7H-purine;ethane
CID 177142136
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5,7-dihydrothieno[3,4-d]pyrimidine
CID 172584079
6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-N,4-N-dimethyl-2-N-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine
CID 178171955

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2,3,5,7-tetrazatricyclo[6.4.1.04,13]trideca-1(13),3,5,7-tetraene?
The IUPAC name of 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2,3,5,7-tetrazatricyclo[6.4.1.04,13]trideca-1(13),3,5,7-tetraene (CID 171405873) is 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2,3,5,7-tetrazatricyclo[6.4.1.04,13]trideca-1(13),3,5,7-tetraene.
What is the SMILES notation for 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2,3,5,7-tetrazatricyclo[6.4.1.04,13]trideca-1(13),3,5,7-tetraene?
The canonical SMILES for 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2,3,5,7-tetrazatricyclo[6.4.1.04,13]trideca-1(13),3,5,7-tetraene is COc1ncnc(C2CC2)c1-c1nc2c3c([nH]nc3n1)CCCC2.
What is the InChIKey of 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2,3,5,7-tetrazatricyclo[6.4.1.04,13]trideca-1(13),3,5,7-tetraene?
The InChIKey is MOGHFVBJCCDIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-24-17-13(14(9-6-7-9)18-8-19-17)15-20-10-4-2-3-5-11-12(10)16(21-15)23-22-11/h8-9H,2-7H2,1H3,(H,20,21,22,23).
What are the key properties of 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2,3,5,7-tetrazatricyclo[6.4.1.04,13]trideca-1(13),3,5,7-tetraene?
6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2,3,5,7-tetrazatricyclo[6.4.1.04,13]trideca-1(13),3,5,7-tetraene has a molecular weight of 322.37 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2,3,5,7-tetrazatricyclo[6.4.1.04,13]trideca-1(13),3,5,7-tetraene is sourced from PubChem (CID 171405873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).