[2-(3-phenylpentan-3-yl)pyrimidin-5-yl]methanamine

C16H21N3 — CID 63081193

IUPAC[2-(3-phenylpentan-3-yl)pyrimidin-5-yl]methanamine
SMILESCCC(CC)(c1ccccc1)c1ncc(CN)cn1
InChIInChI=1S/C16H21N3/c1-3-16(4-2,14-8-6-5-7-9-14)15-18-11-13(10-17)12-19-15/h5-9,11-12H,3-4,10,17H2,1-2H3
InChIKeyVPCMFWFOEAXREX-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.04
Rot. Bonds5

About [2-(3-phenylpentan-3-yl)pyrimidin-5-yl]methanamine

[2-(3-phenylpentan-3-yl)pyrimidin-5-yl]methanamine (PubChem CID 63081193) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is [2-(3-phenylpentan-3-yl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-phenylpentan-3-yl)pyrimidin-5-yl]methanamine
PubChem CID63081193
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name[2-(3-phenylpentan-3-yl)pyrimidin-5-yl]methanamine
SMILESCCC(CC)(c1ccccc1)c1ncc(CN)cn1
InChIInChI=1S/C16H21N3/c1-3-16(4-2,14-8-6-5-7-9-14)15-18-11-13(10-17)12-19-15/h5-9,11-12H,3-4,10,17H2,1-2H3
InChIKeyVPCMFWFOEAXREX-UHFFFAOYSA-N
XLogP3.04
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3-phenylpentan-3-yl)pyrimidin-5-yl]methanamine?
The IUPAC name of [2-(3-phenylpentan-3-yl)pyrimidin-5-yl]methanamine (CID 63081193) is [2-(3-phenylpentan-3-yl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(3-phenylpentan-3-yl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(3-phenylpentan-3-yl)pyrimidin-5-yl]methanamine is CCC(CC)(c1ccccc1)c1ncc(CN)cn1.
What is the InChIKey of [2-(3-phenylpentan-3-yl)pyrimidin-5-yl]methanamine?
The InChIKey is VPCMFWFOEAXREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-16(4-2,14-8-6-5-7-9-14)15-18-11-13(10-17)12-19-15/h5-9,11-12H,3-4,10,17H2,1-2H3.
What are the key properties of [2-(3-phenylpentan-3-yl)pyrimidin-5-yl]methanamine?
[2-(3-phenylpentan-3-yl)pyrimidin-5-yl]methanamine has a molecular weight of 255.37 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-phenylpentan-3-yl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 63081193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).