(2Z)-N-methyl-6-methylimino-2-[(2-methyl-4H-pyrimidin-3-yl)methylidene]hexa-3,4-dien-1-amine

C14H20N4 — CID 129045772

IUPAC(2Z)-N-methyl-6-methylimino-2-[(2-methyl-4H-pyrimidin-3-yl)methylidene]hexa-3,4-dien-1-amine
SMILESC/N=C/C=C=C/C(=C/N1CC=CN=C1C)CNC
InChIInChI=1S/C14H20N4/c1-13-17-9-6-10-18(13)12-14(11-16-3)7-4-5-8-15-2/h5-9,12,16H,10-11H2,1-3H3/b14-12-,15-8+
InChIKeyVGFYKWYJFITHIJ-IHVDGFGJSA-N
MW244.34 g/mol
LogP1.75
Rot. Bonds5

About (2Z)-N-methyl-6-methylimino-2-[(2-methyl-4H-pyrimidin-3-yl)methylidene]hexa-3,4-dien-1-amine

(2Z)-N-methyl-6-methylimino-2-[(2-methyl-4H-pyrimidin-3-yl)methylidene]hexa-3,4-dien-1-amine (PubChem CID 129045772) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is (2Z)-N-methyl-6-methylimino-2-[(2-methyl-4H-pyrimidin-3-yl)methylidene]hexa-3,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-N-methyl-6-methylimino-2-[(2-methyl-4H-pyrimidin-3-yl)methylidene]hexa-3,4-dien-1-amine
PubChem CID129045772
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name(2Z)-N-methyl-6-methylimino-2-[(2-methyl-4H-pyrimidin-3-yl)methylidene]hexa-3,4-dien-1-amine
SMILESC/N=C/C=C=C/C(=C/N1CC=CN=C1C)CNC
InChIInChI=1S/C14H20N4/c1-13-17-9-6-10-18(13)12-14(11-16-3)7-4-5-8-15-2/h5-9,12,16H,10-11H2,1-3H3/b14-12-,15-8+
InChIKeyVGFYKWYJFITHIJ-IHVDGFGJSA-N
XLogP1.75
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-methyl-6-methylimino-2-[(2-methyl-4H-pyrimidin-3-yl)methylidene]hexa-3,4-dien-1-amine?
The IUPAC name of (2Z)-N-methyl-6-methylimino-2-[(2-methyl-4H-pyrimidin-3-yl)methylidene]hexa-3,4-dien-1-amine (CID 129045772) is (2Z)-N-methyl-6-methylimino-2-[(2-methyl-4H-pyrimidin-3-yl)methylidene]hexa-3,4-dien-1-amine.
What is the SMILES notation for (2Z)-N-methyl-6-methylimino-2-[(2-methyl-4H-pyrimidin-3-yl)methylidene]hexa-3,4-dien-1-amine?
The canonical SMILES for (2Z)-N-methyl-6-methylimino-2-[(2-methyl-4H-pyrimidin-3-yl)methylidene]hexa-3,4-dien-1-amine is C/N=C/C=C=C/C(=C/N1CC=CN=C1C)CNC.
What is the InChIKey of (2Z)-N-methyl-6-methylimino-2-[(2-methyl-4H-pyrimidin-3-yl)methylidene]hexa-3,4-dien-1-amine?
The InChIKey is VGFYKWYJFITHIJ-IHVDGFGJSA-N. The full InChI is InChI=1S/C14H20N4/c1-13-17-9-6-10-18(13)12-14(11-16-3)7-4-5-8-15-2/h5-9,12,16H,10-11H2,1-3H3/b14-12-,15-8+.
What are the key properties of (2Z)-N-methyl-6-methylimino-2-[(2-methyl-4H-pyrimidin-3-yl)methylidene]hexa-3,4-dien-1-amine?
(2Z)-N-methyl-6-methylimino-2-[(2-methyl-4H-pyrimidin-3-yl)methylidene]hexa-3,4-dien-1-amine has a molecular weight of 244.34 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-methyl-6-methylimino-2-[(2-methyl-4H-pyrimidin-3-yl)methylidene]hexa-3,4-dien-1-amine is sourced from PubChem (CID 129045772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).