[2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-5-yl]methanamine

C14H15N3 — CID 65404660

IUPAC[2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-5-yl]methanamine
SMILESNCc1cnc(C2Cc3ccccc3C2)nc1
InChIInChI=1S/C14H15N3/c15-7-10-8-16-14(17-9-10)13-5-11-3-1-2-4-12(11)6-13/h1-4,8-9,13H,5-7,15H2
InChIKeyOPEJWWLLNJOUAK-UHFFFAOYSA-N
MW225.30 g/mol
LogP1.82
Rot. Bonds2

About [2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-5-yl]methanamine

[2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-5-yl]methanamine (PubChem CID 65404660) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is [2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-5-yl]methanamine
PubChem CID65404660
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name[2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-5-yl]methanamine
SMILESNCc1cnc(C2Cc3ccccc3C2)nc1
InChIInChI=1S/C14H15N3/c15-7-10-8-16-14(17-9-10)13-5-11-3-1-2-4-12(11)6-13/h1-4,8-9,13H,5-7,15H2
InChIKeyOPEJWWLLNJOUAK-UHFFFAOYSA-N
XLogP1.82
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-5-yl]methanamine?
The IUPAC name of [2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-5-yl]methanamine (CID 65404660) is [2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-5-yl]methanamine is NCc1cnc(C2Cc3ccccc3C2)nc1.
What is the InChIKey of [2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-5-yl]methanamine?
The InChIKey is OPEJWWLLNJOUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c15-7-10-8-16-14(17-9-10)13-5-11-3-1-2-4-12(11)6-13/h1-4,8-9,13H,5-7,15H2.
What are the key properties of [2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-5-yl]methanamine?
[2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-5-yl]methanamine has a molecular weight of 225.30 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 65404660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).