5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine

C19H17ClN4 — CID 44591393

IUPAC5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccccn2)nc(NC2Cc3ccccc3C2)c1Cl
InChIInChI=1S/C19H17ClN4/c1-12-17(20)19(24-18(22-12)16-8-4-5-9-21-16)23-15-10-13-6-2-3-7-14(13)11-15/h2-9,15H,10-11H2,1H3,(H,22,23,24)
InChIKeyBRPHJIVMVFSBHL-UHFFFAOYSA-N
MW336.83 g/mol
LogP4.08
Rot. Bonds3

About 5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine

5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 44591393) has the molecular formula C19H17ClN4 and a molecular weight of 336.83 g/mol. Its IUPAC name is 5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID44591393
Molecular FormulaC19H17ClN4
Molecular Weight336.83 g/mol
Exact Mass336.11
IUPAC Name5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccccn2)nc(NC2Cc3ccccc3C2)c1Cl
InChIInChI=1S/C19H17ClN4/c1-12-17(20)19(24-18(22-12)16-8-4-5-9-21-16)23-15-10-13-6-2-3-7-14(13)11-15/h2-9,15H,10-11H2,1H3,(H,22,23,24)
InChIKeyBRPHJIVMVFSBHL-UHFFFAOYSA-N
XLogP4.08
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.83
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine (CID 44591393) is 5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine is Cc1nc(-c2ccccn2)nc(NC2Cc3ccccc3C2)c1Cl.
What is the InChIKey of 5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is BRPHJIVMVFSBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4/c1-12-17(20)19(24-18(22-12)16-8-4-5-9-21-16)23-15-10-13-6-2-3-7-14(13)11-15/h2-9,15H,10-11H2,1H3,(H,22,23,24).
What are the key properties of 5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 336.83 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 44591393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).