5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyrimidin-2-amine

C14H14ClN3O — CID 80881424

IUPAC5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Cl)c(Oc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C14H14ClN3O/c1-16-14-17-8-12(15)13(18-14)19-11-6-5-9-3-2-4-10(9)7-11/h5-8H,2-4H2,1H3,(H,16,17,18)
InChIKeySHTFOYCRPPCULM-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.45
Rot. Bonds3

About 5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyrimidin-2-amine

5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyrimidin-2-amine (PubChem CID 80881424) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyrimidin-2-amine
PubChem CID80881424
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Cl)c(Oc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C14H14ClN3O/c1-16-14-17-8-12(15)13(18-14)19-11-6-5-9-3-2-4-10(9)7-11/h5-8H,2-4H2,1H3,(H,16,17,18)
InChIKeySHTFOYCRPPCULM-UHFFFAOYSA-N
XLogP3.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyrimidin-2-amine (CID 80881424) is 5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyrimidin-2-amine is CNc1ncc(Cl)c(Oc2ccc3c(c2)CCC3)n1.
What is the InChIKey of 5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyrimidin-2-amine?
The InChIKey is SHTFOYCRPPCULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-16-14-17-8-12(15)13(18-14)19-11-6-5-9-3-2-4-10(9)7-11/h5-8H,2-4H2,1H3,(H,16,17,18).
What are the key properties of 5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyrimidin-2-amine?
5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyrimidin-2-amine has a molecular weight of 275.74 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80881424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).