2-(3-phenylpyrrolidin-1-yl)-2-pyrimidin-4-ylethanamine

C16H20N4 — CID 63984471

IUPAC2-(3-phenylpyrrolidin-1-yl)-2-pyrimidin-4-ylethanamine
SMILESNCC(c1ccncn1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C16H20N4/c17-10-16(15-6-8-18-12-19-15)20-9-7-14(11-20)13-4-2-1-3-5-13/h1-6,8,12,14,16H,7,9-11,17H2
InChIKeyIZDFRJCWZZTFTP-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.97
Rot. Bonds4

About 2-(3-phenylpyrrolidin-1-yl)-2-pyrimidin-4-ylethanamine

2-(3-phenylpyrrolidin-1-yl)-2-pyrimidin-4-ylethanamine (PubChem CID 63984471) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(3-phenylpyrrolidin-1-yl)-2-pyrimidin-4-ylethanamine.

Molecular Properties

Compound Name2-(3-phenylpyrrolidin-1-yl)-2-pyrimidin-4-ylethanamine
PubChem CID63984471
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-(3-phenylpyrrolidin-1-yl)-2-pyrimidin-4-ylethanamine
SMILESNCC(c1ccncn1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C16H20N4/c17-10-16(15-6-8-18-12-19-15)20-9-7-14(11-20)13-4-2-1-3-5-13/h1-6,8,12,14,16H,7,9-11,17H2
InChIKeyIZDFRJCWZZTFTP-UHFFFAOYSA-N
XLogP1.97
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpyrrolidin-1-yl)-2-pyrimidin-4-ylethanamine?
The IUPAC name of 2-(3-phenylpyrrolidin-1-yl)-2-pyrimidin-4-ylethanamine (CID 63984471) is 2-(3-phenylpyrrolidin-1-yl)-2-pyrimidin-4-ylethanamine.
What is the SMILES notation for 2-(3-phenylpyrrolidin-1-yl)-2-pyrimidin-4-ylethanamine?
The canonical SMILES for 2-(3-phenylpyrrolidin-1-yl)-2-pyrimidin-4-ylethanamine is NCC(c1ccncn1)N1CCC(c2ccccc2)C1.
What is the InChIKey of 2-(3-phenylpyrrolidin-1-yl)-2-pyrimidin-4-ylethanamine?
The InChIKey is IZDFRJCWZZTFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c17-10-16(15-6-8-18-12-19-15)20-9-7-14(11-20)13-4-2-1-3-5-13/h1-6,8,12,14,16H,7,9-11,17H2.
What are the key properties of 2-(3-phenylpyrrolidin-1-yl)-2-pyrimidin-4-ylethanamine?
2-(3-phenylpyrrolidin-1-yl)-2-pyrimidin-4-ylethanamine has a molecular weight of 268.36 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpyrrolidin-1-yl)-2-pyrimidin-4-ylethanamine is sourced from PubChem (CID 63984471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).