4-(aminomethyl)-N-propyl-N-(pyrimidin-2-ylmethyl)aniline

C15H20N4 — CID 62699715

IUPAC4-(aminomethyl)-N-propyl-N-(pyrimidin-2-ylmethyl)aniline
SMILESCCCN(Cc1ncccn1)c1ccc(CN)cc1
InChIInChI=1S/C15H20N4/c1-2-10-19(12-15-17-8-3-9-18-15)14-6-4-13(11-16)5-7-14/h3-9H,2,10-12,16H2,1H3
InChIKeyMEBIFETYVBYFDB-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.35
Rot. Bonds6

About 4-(aminomethyl)-N-propyl-N-(pyrimidin-2-ylmethyl)aniline

4-(aminomethyl)-N-propyl-N-(pyrimidin-2-ylmethyl)aniline (PubChem CID 62699715) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-propyl-N-(pyrimidin-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-propyl-N-(pyrimidin-2-ylmethyl)aniline
PubChem CID62699715
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-(aminomethyl)-N-propyl-N-(pyrimidin-2-ylmethyl)aniline
SMILESCCCN(Cc1ncccn1)c1ccc(CN)cc1
InChIInChI=1S/C15H20N4/c1-2-10-19(12-15-17-8-3-9-18-15)14-6-4-13(11-16)5-7-14/h3-9H,2,10-12,16H2,1H3
InChIKeyMEBIFETYVBYFDB-UHFFFAOYSA-N
XLogP2.35
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-propyl-N-(pyrimidin-2-ylmethyl)aniline?
The IUPAC name of 4-(aminomethyl)-N-propyl-N-(pyrimidin-2-ylmethyl)aniline (CID 62699715) is 4-(aminomethyl)-N-propyl-N-(pyrimidin-2-ylmethyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-N-propyl-N-(pyrimidin-2-ylmethyl)aniline?
The canonical SMILES for 4-(aminomethyl)-N-propyl-N-(pyrimidin-2-ylmethyl)aniline is CCCN(Cc1ncccn1)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-propyl-N-(pyrimidin-2-ylmethyl)aniline?
The InChIKey is MEBIFETYVBYFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-2-10-19(12-15-17-8-3-9-18-15)14-6-4-13(11-16)5-7-14/h3-9H,2,10-12,16H2,1H3.
What are the key properties of 4-(aminomethyl)-N-propyl-N-(pyrimidin-2-ylmethyl)aniline?
4-(aminomethyl)-N-propyl-N-(pyrimidin-2-ylmethyl)aniline has a molecular weight of 256.35 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-propyl-N-(pyrimidin-2-ylmethyl)aniline is sourced from PubChem (CID 62699715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).