[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(2-methylpyrimidin-4-yl)methanol

C16H19N3O — CID 115530055

IUPAC[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(2-methylpyrimidin-4-yl)methanol
SMILESCc1nccc(C(O)C2(CN)Cc3ccccc3C2)n1
InChIInChI=1S/C16H19N3O/c1-11-18-7-6-14(19-11)15(20)16(10-17)8-12-4-2-3-5-13(12)9-16/h2-7,15,20H,8-10,17H2,1H3
InChIKeyKHFHOJVITAWERF-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.56
Rot. Bonds3

About [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(2-methylpyrimidin-4-yl)methanol

[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(2-methylpyrimidin-4-yl)methanol (PubChem CID 115530055) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(2-methylpyrimidin-4-yl)methanol.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(2-methylpyrimidin-4-yl)methanol
PubChem CID115530055
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(2-methylpyrimidin-4-yl)methanol
SMILESCc1nccc(C(O)C2(CN)Cc3ccccc3C2)n1
InChIInChI=1S/C16H19N3O/c1-11-18-7-6-14(19-11)15(20)16(10-17)8-12-4-2-3-5-13(12)9-16/h2-7,15,20H,8-10,17H2,1H3
InChIKeyKHFHOJVITAWERF-UHFFFAOYSA-N
XLogP1.56
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(2-methylpyrimidin-4-yl)methanol?
The IUPAC name of [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(2-methylpyrimidin-4-yl)methanol (CID 115530055) is [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(2-methylpyrimidin-4-yl)methanol.
What is the SMILES notation for [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(2-methylpyrimidin-4-yl)methanol?
The canonical SMILES for [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(2-methylpyrimidin-4-yl)methanol is Cc1nccc(C(O)C2(CN)Cc3ccccc3C2)n1.
What is the InChIKey of [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(2-methylpyrimidin-4-yl)methanol?
The InChIKey is KHFHOJVITAWERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-18-7-6-14(19-11)15(20)16(10-17)8-12-4-2-3-5-13(12)9-16/h2-7,15,20H,8-10,17H2,1H3.
What are the key properties of [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(2-methylpyrimidin-4-yl)methanol?
[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(2-methylpyrimidin-4-yl)methanol has a molecular weight of 269.35 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(2-methylpyrimidin-4-yl)methanol is sourced from PubChem (CID 115530055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).