[2-methyl-6-(N,3,4-trimethylanilino)pyrimidin-4-yl]cyanamide

C15H17N5 — CID 115266643

IUPAC[2-methyl-6-(N,3,4-trimethylanilino)pyrimidin-4-yl]cyanamide
SMILESCc1nc(NC#N)cc(N(C)c2ccc(C)c(C)c2)n1
InChIInChI=1S/C15H17N5/c1-10-5-6-13(7-11(10)2)20(4)15-8-14(17-9-16)18-12(3)19-15/h5-8H,1-4H3,(H,17,18,19)
InChIKeyYGRMKMXHDZBPSP-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.06
Rot. Bonds3

About [2-methyl-6-(N,3,4-trimethylanilino)pyrimidin-4-yl]cyanamide

[2-methyl-6-(N,3,4-trimethylanilino)pyrimidin-4-yl]cyanamide (PubChem CID 115266643) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is [2-methyl-6-(N,3,4-trimethylanilino)pyrimidin-4-yl]cyanamide.

Molecular Properties

Compound Name[2-methyl-6-(N,3,4-trimethylanilino)pyrimidin-4-yl]cyanamide
PubChem CID115266643
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name[2-methyl-6-(N,3,4-trimethylanilino)pyrimidin-4-yl]cyanamide
SMILESCc1nc(NC#N)cc(N(C)c2ccc(C)c(C)c2)n1
InChIInChI=1S/C15H17N5/c1-10-5-6-13(7-11(10)2)20(4)15-8-14(17-9-16)18-12(3)19-15/h5-8H,1-4H3,(H,17,18,19)
InChIKeyYGRMKMXHDZBPSP-UHFFFAOYSA-N
XLogP3.06
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

[2-methyl-6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]cyanamide
CID 115266637
2-[[6-(4-bromo-N-methylanilino)-2-methylpyrimidin-4-yl]amino]acetonitrile
CID 115266791
4-[[2-methyl-6-(N-methylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112877216
4-N-(4-ethylphenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine
CID 80816371
[6-[(3-bromophenyl)methyl-methylamino]-2-methylpyrimidin-4-yl]cyanamide
CID 115266718
[6-(5-bromo-2-methylanilino)-2-methylpyrimidin-4-yl]cyanamide
CID 115266622
6-N-[4-(diethylamino)phenyl]-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112877193
[6-(3-bromo-N-methylanilino)pyrimidin-4-yl]cyanamide
CID 115264590
[2-methyl-6-[(5-methylfuran-2-yl)amino]pyrimidin-4-yl]cyanamide
CID 115266626
6-N-(3,4-dimethoxyphenyl)-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112877180
6-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112877212
[6-(5-bromo-N,2-dimethylanilino)pyrimidin-4-yl]cyanamide
CID 115264585

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-(N,3,4-trimethylanilino)pyrimidin-4-yl]cyanamide?
The IUPAC name of [2-methyl-6-(N,3,4-trimethylanilino)pyrimidin-4-yl]cyanamide (CID 115266643) is [2-methyl-6-(N,3,4-trimethylanilino)pyrimidin-4-yl]cyanamide.
What is the SMILES notation for [2-methyl-6-(N,3,4-trimethylanilino)pyrimidin-4-yl]cyanamide?
The canonical SMILES for [2-methyl-6-(N,3,4-trimethylanilino)pyrimidin-4-yl]cyanamide is Cc1nc(NC#N)cc(N(C)c2ccc(C)c(C)c2)n1.
What is the InChIKey of [2-methyl-6-(N,3,4-trimethylanilino)pyrimidin-4-yl]cyanamide?
The InChIKey is YGRMKMXHDZBPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-10-5-6-13(7-11(10)2)20(4)15-8-14(17-9-16)18-12(3)19-15/h5-8H,1-4H3,(H,17,18,19).
What are the key properties of [2-methyl-6-(N,3,4-trimethylanilino)pyrimidin-4-yl]cyanamide?
[2-methyl-6-(N,3,4-trimethylanilino)pyrimidin-4-yl]cyanamide has a molecular weight of 267.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-(N,3,4-trimethylanilino)pyrimidin-4-yl]cyanamide is sourced from PubChem (CID 115266643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).