[6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]cyanamide

C14H15N5O — CID 115266696

IUPAC[6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]cyanamide
SMILESCOc1cccc(CNc2cc(NC#N)nc(C)n2)c1
InChIInChI=1S/C14H15N5O/c1-10-18-13(7-14(19-10)17-9-15)16-8-11-4-3-5-12(6-11)20-2/h3-7H,8H2,1-2H3,(H2,16,17,18,19)
InChIKeyYLPGYZSIDXEPAT-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.30
Rot. Bonds5

About [6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]cyanamide

[6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]cyanamide (PubChem CID 115266696) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is [6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]cyanamide.

Molecular Properties

Compound Name[6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]cyanamide
PubChem CID115266696
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name[6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]cyanamide
SMILESCOc1cccc(CNc2cc(NC#N)nc(C)n2)c1
InChIInChI=1S/C14H15N5O/c1-10-18-13(7-14(19-10)17-9-15)16-8-11-4-3-5-12(6-11)20-2/h3-7H,8H2,1-2H3,(H2,16,17,18,19)
InChIKeyYLPGYZSIDXEPAT-UHFFFAOYSA-N
XLogP2.30
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

[6-[(3-methoxyphenyl)methylamino]pyrimidin-4-yl]cyanamide
CID 115264649
2-methyl-4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871781
6-chloro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 63587268
2-N-[(3-methoxyphenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 166178490
6-N-ethyl-4-N-[(3-methoxyphenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80773948
[3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 107232135
6-N-ethyl-4-N-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80776127
4-N-[(4-methoxyphenyl)methyl]-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112872921
6-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80785216
6-N-[(3-methoxyphenyl)methyl]pyridine-2,3,6-triamine
CID 79826816
4-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 107855538
1-butyl-N-[(3-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
CID 19625975

Frequently Asked Questions

What is the IUPAC name of [6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]cyanamide?
The IUPAC name of [6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]cyanamide (CID 115266696) is [6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]cyanamide.
What is the SMILES notation for [6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]cyanamide?
The canonical SMILES for [6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]cyanamide is COc1cccc(CNc2cc(NC#N)nc(C)n2)c1.
What is the InChIKey of [6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]cyanamide?
The InChIKey is YLPGYZSIDXEPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-10-18-13(7-14(19-10)17-9-15)16-8-11-4-3-5-12(6-11)20-2/h3-7H,8H2,1-2H3,(H2,16,17,18,19).
What are the key properties of [6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]cyanamide?
[6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]cyanamide has a molecular weight of 269.31 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]cyanamide is sourced from PubChem (CID 115266696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).