N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-6-methylpyrimidin-4-amine

C16H19N3 — CID 133386604

IUPACN-(3,3-dimethyl-1,2-dihydroinden-1-yl)-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CC(C)(C)c3ccccc32)ncn1
InChIInChI=1S/C16H19N3/c1-11-8-15(18-10-17-11)19-14-9-16(2,3)13-7-5-4-6-12(13)14/h4-8,10,14H,9H2,1-3H3,(H,17,18,19)
InChIKeyCEFSLEKMXAGQOM-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.62
Rot. Bonds2

About N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-6-methylpyrimidin-4-amine

N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-6-methylpyrimidin-4-amine (PubChem CID 133386604) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,3-dimethyl-1,2-dihydroinden-1-yl)-6-methylpyrimidin-4-amine
PubChem CID133386604
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC NameN-(3,3-dimethyl-1,2-dihydroinden-1-yl)-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CC(C)(C)c3ccccc32)ncn1
InChIInChI=1S/C16H19N3/c1-11-8-15(18-10-17-11)19-14-9-16(2,3)13-7-5-4-6-12(13)14/h4-8,10,14H,9H2,1-3H3,(H,17,18,19)
InChIKeyCEFSLEKMXAGQOM-UHFFFAOYSA-N
XLogP3.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-6-methylpyrimidin-4-amine (CID 133386604) is N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-6-methylpyrimidin-4-amine is Cc1cc(NC2CC(C)(C)c3ccccc32)ncn1.
What is the InChIKey of N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-6-methylpyrimidin-4-amine?
The InChIKey is CEFSLEKMXAGQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-11-8-15(18-10-17-11)19-14-9-16(2,3)13-7-5-4-6-12(13)14/h4-8,10,14H,9H2,1-3H3,(H,17,18,19).
What are the key properties of N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-6-methylpyrimidin-4-amine?
N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-6-methylpyrimidin-4-amine has a molecular weight of 253.35 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 133386604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).