4,6-dimethyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]pyrimidin-2-amine

C12H15N5 — CID 42994964

IUPAC4,6-dimethyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]pyrimidin-2-amine
SMILESCc1cc(C)nc(N/N=C/c2cccn2C)n1
InChIInChI=1S/C12H15N5/c1-9-7-10(2)15-12(14-9)16-13-8-11-5-4-6-17(11)3/h4-8H,1-3H3,(H,14,15,16)/b13-8+
InChIKeyBXYDMKKBDXUQNT-MDWZMJQESA-N
MW229.29 g/mol
LogP1.88
Rot. Bonds3

About 4,6-dimethyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]pyrimidin-2-amine

4,6-dimethyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]pyrimidin-2-amine (PubChem CID 42994964) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 4,6-dimethyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]pyrimidin-2-amine
PubChem CID42994964
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name4,6-dimethyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]pyrimidin-2-amine
SMILESCc1cc(C)nc(N/N=C/c2cccn2C)n1
InChIInChI=1S/C12H15N5/c1-9-7-10(2)15-12(14-9)16-13-8-11-5-4-6-17(11)3/h4-8H,1-3H3,(H,14,15,16)/b13-8+
InChIKeyBXYDMKKBDXUQNT-MDWZMJQESA-N
XLogP1.88
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]formamide
CID 119082829
4-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine
CID 2852047
3,7-dimethyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine
CID 3111132
N-[2-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 2334192
4,6-dimethyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-2-amine
CID 5149886
1-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methylideneamino]methanimine
CID 611756
N-[(10-chloroanthracen-9-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 4077407
4-[2-[(1-methylpyrrol-2-yl)methylidene]hydrazinyl]benzoic acid
CID 5202199
2-chloro-3-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 6018685
N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]-3-nitropyridin-2-amine
CID 126124527
N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2,4-dinitroaniline
CID 42994998
4,6-dimethyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]pyrimidin-2-amine
CID 8971405

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]pyrimidin-2-amine (CID 42994964) is 4,6-dimethyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]pyrimidin-2-amine is Cc1cc(C)nc(N/N=C/c2cccn2C)n1.
What is the InChIKey of 4,6-dimethyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]pyrimidin-2-amine?
The InChIKey is BXYDMKKBDXUQNT-MDWZMJQESA-N. The full InChI is InChI=1S/C12H15N5/c1-9-7-10(2)15-12(14-9)16-13-8-11-5-4-6-17(11)3/h4-8H,1-3H3,(H,14,15,16)/b13-8+.
What are the key properties of 4,6-dimethyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]pyrimidin-2-amine?
4,6-dimethyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]pyrimidin-2-amine has a molecular weight of 229.29 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]pyrimidin-2-amine is sourced from PubChem (CID 42994964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).