4-chloro-2-cyclopropyl-6-(2,3-dihydro-1H-inden-5-yloxy)-5-methylpyrimidine

C17H17ClN2O — CID 80973259

IUPAC4-chloro-2-cyclopropyl-6-(2,3-dihydro-1H-inden-5-yloxy)-5-methylpyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1Oc1ccc2c(c1)CCC2
InChIInChI=1S/C17H17ClN2O/c1-10-15(18)19-16(12-5-6-12)20-17(10)21-14-8-7-11-3-2-4-13(11)9-14/h7-9,12H,2-6H2,1H3
InChIKeySNDRCRZMCDTRAK-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.60
Rot. Bonds3

About 4-chloro-2-cyclopropyl-6-(2,3-dihydro-1H-inden-5-yloxy)-5-methylpyrimidine

4-chloro-2-cyclopropyl-6-(2,3-dihydro-1H-inden-5-yloxy)-5-methylpyrimidine (PubChem CID 80973259) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-(2,3-dihydro-1H-inden-5-yloxy)-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-(2,3-dihydro-1H-inden-5-yloxy)-5-methylpyrimidine
PubChem CID80973259
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name4-chloro-2-cyclopropyl-6-(2,3-dihydro-1H-inden-5-yloxy)-5-methylpyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1Oc1ccc2c(c1)CCC2
InChIInChI=1S/C17H17ClN2O/c1-10-15(18)19-16(12-5-6-12)20-17(10)21-14-8-7-11-3-2-4-13(11)9-14/h7-9,12H,2-6H2,1H3
InChIKeySNDRCRZMCDTRAK-UHFFFAOYSA-N
XLogP4.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-cyclopropyl-6-(3,5-difluorophenoxy)-5-methylpyrimidine
CID 80974330
4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxybenzonitrile
CID 80974217
4-chloro-2-cyclopropyl-6-(2,4-dichlorophenoxy)-5-methylpyrimidine
CID 80973423
6-(4-chloro-3-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80989341
2,5-dichloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidine
CID 79633379
3,6-dichloro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1,2,4-triazine
CID 81036269
5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyrimidin-2-amine
CID 80881424
4-chloro-6-cyclohexyloxy-2-cyclopropyl-5-methylpyrimidine
CID 80973778
2-(2,3-dihydro-1H-inden-5-yloxy)-6-methylpyridin-3-amine
CID 81133195
2-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]ethanol
CID 107712328
[2,5-dimethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-yl]hydrazine
CID 80920615
[6-(3-chlorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 81001078

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-6-(2,3-dihydro-1H-inden-5-yloxy)-5-methylpyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-(2,3-dihydro-1H-inden-5-yloxy)-5-methylpyrimidine (CID 80973259) is 4-chloro-2-cyclopropyl-6-(2,3-dihydro-1H-inden-5-yloxy)-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-(2,3-dihydro-1H-inden-5-yloxy)-5-methylpyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-(2,3-dihydro-1H-inden-5-yloxy)-5-methylpyrimidine is Cc1c(Cl)nc(C2CC2)nc1Oc1ccc2c(c1)CCC2.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-(2,3-dihydro-1H-inden-5-yloxy)-5-methylpyrimidine?
The InChIKey is SNDRCRZMCDTRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-10-15(18)19-16(12-5-6-12)20-17(10)21-14-8-7-11-3-2-4-13(11)9-14/h7-9,12H,2-6H2,1H3.
What are the key properties of 4-chloro-2-cyclopropyl-6-(2,3-dihydro-1H-inden-5-yloxy)-5-methylpyrimidine?
4-chloro-2-cyclopropyl-6-(2,3-dihydro-1H-inden-5-yloxy)-5-methylpyrimidine has a molecular weight of 300.79 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-6-(2,3-dihydro-1H-inden-5-yloxy)-5-methylpyrimidine is sourced from PubChem (CID 80973259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).