2-[2-aminoethyl(benzyl)amino]pyrimidine-4-carbonitrile

C14H15N5 — CID 107552766

IUPAC2-[2-aminoethyl(benzyl)amino]pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(N(CCN)Cc2ccccc2)n1
InChIInChI=1S/C14H15N5/c15-7-9-19(11-12-4-2-1-3-5-12)14-17-8-6-13(10-16)18-14/h1-6,8H,7,9,11,15H2
InChIKeyVRKREVIAVIOEPI-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.31
Rot. Bonds5

About 2-[2-aminoethyl(benzyl)amino]pyrimidine-4-carbonitrile

2-[2-aminoethyl(benzyl)amino]pyrimidine-4-carbonitrile (PubChem CID 107552766) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[2-aminoethyl(benzyl)amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-aminoethyl(benzyl)amino]pyrimidine-4-carbonitrile
PubChem CID107552766
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name2-[2-aminoethyl(benzyl)amino]pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(N(CCN)Cc2ccccc2)n1
InChIInChI=1S/C14H15N5/c15-7-9-19(11-12-4-2-1-3-5-12)14-17-8-6-13(10-16)18-14/h1-6,8H,7,9,11,15H2
InChIKeyVRKREVIAVIOEPI-UHFFFAOYSA-N
XLogP1.31
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[bis(cyanomethyl)amino]pyrimidine-4-carbonitrile
CID 107543413
2-[[4-(aminomethyl)pyrimidin-2-yl]-benzylamino]ethanol
CID 107541913
2-[ethyl(pyridin-2-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107544863
5-[3-aminopropyl(benzyl)amino]pyrazine-2-carbonitrile
CID 107368193
2-[bis(2-methoxyethyl)amino]pyrimidine-4-carbonitrile
CID 107543844
N,N-dibenzyl-4-methylpyrimidin-2-amine
CID 66545602
N'-benzyl-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 62255300
2-[(4-cyanopyrimidin-2-yl)-ethylamino]acetic acid
CID 107542879
N'-benzyl-N'-(3-bromo-2-pyridinyl)ethane-1,2-diamine
CID 61375800
2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbonitrile
CID 107544861
N'-benzyl-N'-furo[3,2-c]pyridin-4-ylethane-1,2-diamine
CID 106535010
4-[2-aminoethyl(benzyl)amino]-3-bromobenzonitrile
CID 106511699

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(benzyl)amino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[2-aminoethyl(benzyl)amino]pyrimidine-4-carbonitrile (CID 107552766) is 2-[2-aminoethyl(benzyl)amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[2-aminoethyl(benzyl)amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[2-aminoethyl(benzyl)amino]pyrimidine-4-carbonitrile is N#Cc1ccnc(N(CCN)Cc2ccccc2)n1.
What is the InChIKey of 2-[2-aminoethyl(benzyl)amino]pyrimidine-4-carbonitrile?
The InChIKey is VRKREVIAVIOEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c15-7-9-19(11-12-4-2-1-3-5-12)14-17-8-6-13(10-16)18-14/h1-6,8H,7,9,11,15H2.
What are the key properties of 2-[2-aminoethyl(benzyl)amino]pyrimidine-4-carbonitrile?
2-[2-aminoethyl(benzyl)amino]pyrimidine-4-carbonitrile has a molecular weight of 253.31 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(benzyl)amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107552766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).