4-N-methyl-4-N-(pyrimidin-2-ylmethyl)benzene-1,4-diamine

C12H14N4 — CID 62699938

IUPAC4-N-methyl-4-N-(pyrimidin-2-ylmethyl)benzene-1,4-diamine
SMILESCN(Cc1ncccn1)c1ccc(N)cc1
InChIInChI=1S/C12H14N4/c1-16(9-12-14-7-2-8-15-12)11-5-3-10(13)4-6-11/h2-8H,9,13H2,1H3
InChIKeyYRXGUQBCMMVUHV-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.70
Rot. Bonds3

About 4-N-methyl-4-N-(pyrimidin-2-ylmethyl)benzene-1,4-diamine

4-N-methyl-4-N-(pyrimidin-2-ylmethyl)benzene-1,4-diamine (PubChem CID 62699938) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-N-methyl-4-N-(pyrimidin-2-ylmethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(pyrimidin-2-ylmethyl)benzene-1,4-diamine
PubChem CID62699938
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name4-N-methyl-4-N-(pyrimidin-2-ylmethyl)benzene-1,4-diamine
SMILESCN(Cc1ncccn1)c1ccc(N)cc1
InChIInChI=1S/C12H14N4/c1-16(9-12-14-7-2-8-15-12)11-5-3-10(13)4-6-11/h2-8H,9,13H2,1H3
InChIKeyYRXGUQBCMMVUHV-UHFFFAOYSA-N
XLogP1.70
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(pyrimidin-2-ylmethyl)benzene-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(pyrimidin-2-ylmethyl)benzene-1,4-diamine (CID 62699938) is 4-N-methyl-4-N-(pyrimidin-2-ylmethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(pyrimidin-2-ylmethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(pyrimidin-2-ylmethyl)benzene-1,4-diamine is CN(Cc1ncccn1)c1ccc(N)cc1.
What is the InChIKey of 4-N-methyl-4-N-(pyrimidin-2-ylmethyl)benzene-1,4-diamine?
The InChIKey is YRXGUQBCMMVUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-16(9-12-14-7-2-8-15-12)11-5-3-10(13)4-6-11/h2-8H,9,13H2,1H3.
What are the key properties of 4-N-methyl-4-N-(pyrimidin-2-ylmethyl)benzene-1,4-diamine?
4-N-methyl-4-N-(pyrimidin-2-ylmethyl)benzene-1,4-diamine has a molecular weight of 214.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(pyrimidin-2-ylmethyl)benzene-1,4-diamine is sourced from PubChem (CID 62699938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).