(E)-N,N-dimethyl-2-pyrimidin-4-ylethenamine

C8H11N3 — CID 6433770

IUPAC(E)-N,N-dimethyl-2-pyrimidin-4-ylethenamine
SMILESCN(C)/C=C/c1ccncn1
InChIInChI=1S/C8H11N3/c1-11(2)6-4-8-3-5-9-7-10-8/h3-7H,1-2H3/b6-4+
InChIKeyMZEMTDHEIXQJAS-GQCTYLIASA-N
MW149.20 g/mol
LogP1.01
Rot. Bonds2

About (E)-N,N-dimethyl-2-pyrimidin-4-ylethenamine

(E)-N,N-dimethyl-2-pyrimidin-4-ylethenamine (PubChem CID 6433770) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is (E)-N,N-dimethyl-2-pyrimidin-4-ylethenamine.

Molecular Properties

Compound Name(E)-N,N-dimethyl-2-pyrimidin-4-ylethenamine
PubChem CID6433770
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name(E)-N,N-dimethyl-2-pyrimidin-4-ylethenamine
SMILESCN(C)/C=C/c1ccncn1
InChIInChI=1S/C8H11N3/c1-11(2)6-4-8-3-5-9-7-10-8/h3-7H,1-2H3/b6-4+
InChIKeyMZEMTDHEIXQJAS-GQCTYLIASA-N
XLogP1.01
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-2-pyrimidin-4-ylethenamine?
The IUPAC name of (E)-N,N-dimethyl-2-pyrimidin-4-ylethenamine (CID 6433770) is (E)-N,N-dimethyl-2-pyrimidin-4-ylethenamine.
What is the SMILES notation for (E)-N,N-dimethyl-2-pyrimidin-4-ylethenamine?
The canonical SMILES for (E)-N,N-dimethyl-2-pyrimidin-4-ylethenamine is CN(C)/C=C/c1ccncn1.
What is the InChIKey of (E)-N,N-dimethyl-2-pyrimidin-4-ylethenamine?
The InChIKey is MZEMTDHEIXQJAS-GQCTYLIASA-N. The full InChI is InChI=1S/C8H11N3/c1-11(2)6-4-8-3-5-9-7-10-8/h3-7H,1-2H3/b6-4+.
What are the key properties of (E)-N,N-dimethyl-2-pyrimidin-4-ylethenamine?
(E)-N,N-dimethyl-2-pyrimidin-4-ylethenamine has a molecular weight of 149.20 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-2-pyrimidin-4-ylethenamine is sourced from PubChem (CID 6433770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).