[6-[2-(4-methylphenyl)ethylamino]pyrimidin-4-yl]cyanamide

C14H15N5 — CID 115264702

IUPAC[6-[2-(4-methylphenyl)ethylamino]pyrimidin-4-yl]cyanamide
SMILESCc1ccc(CCNc2cc(NC#N)ncn2)cc1
InChIInChI=1S/C14H15N5/c1-11-2-4-12(5-3-11)6-7-16-13-8-14(17-9-15)19-10-18-13/h2-5,8,10H,6-7H2,1H3,(H2,16,17,18,19)
InChIKeyJNNHDWBHHOAMMB-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.33
Rot. Bonds5

About [6-[2-(4-methylphenyl)ethylamino]pyrimidin-4-yl]cyanamide

[6-[2-(4-methylphenyl)ethylamino]pyrimidin-4-yl]cyanamide (PubChem CID 115264702) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is [6-[2-(4-methylphenyl)ethylamino]pyrimidin-4-yl]cyanamide.

Molecular Properties

Compound Name[6-[2-(4-methylphenyl)ethylamino]pyrimidin-4-yl]cyanamide
PubChem CID115264702
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name[6-[2-(4-methylphenyl)ethylamino]pyrimidin-4-yl]cyanamide
SMILESCc1ccc(CCNc2cc(NC#N)ncn2)cc1
InChIInChI=1S/C14H15N5/c1-11-2-4-12(5-3-11)6-7-16-13-8-14(17-9-15)19-10-18-13/h2-5,8,10H,6-7H2,1H3,(H2,16,17,18,19)
InChIKeyJNNHDWBHHOAMMB-UHFFFAOYSA-N
XLogP2.33
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
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

6-N-[2-(4-chlorophenyl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859177
4-[2-[[6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112859175
4-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80797368
6-[2-(4-bromophenyl)ethylamino]pyrimidine-4-carbonitrile
CID 115143046
4-N-(2,5-dimethylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112861082
4-N-(2,5-dimethylphenyl)-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861718
[6-[2-(5-bromo-2-fluorophenyl)ethylamino]pyrimidin-4-yl]cyanamide
CID 115264714
6-N-[2-(4-methoxyphenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860204
6-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109352342
4-N-(2-bromo-4-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112861137
N-[2-(4-chlorophenyl)ethyl]-6-hydrazinylpyrimidin-4-amine
CID 80899019
N-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66327633

Frequently Asked Questions

What is the IUPAC name of [6-[2-(4-methylphenyl)ethylamino]pyrimidin-4-yl]cyanamide?
The IUPAC name of [6-[2-(4-methylphenyl)ethylamino]pyrimidin-4-yl]cyanamide (CID 115264702) is [6-[2-(4-methylphenyl)ethylamino]pyrimidin-4-yl]cyanamide.
What is the SMILES notation for [6-[2-(4-methylphenyl)ethylamino]pyrimidin-4-yl]cyanamide?
The canonical SMILES for [6-[2-(4-methylphenyl)ethylamino]pyrimidin-4-yl]cyanamide is Cc1ccc(CCNc2cc(NC#N)ncn2)cc1.
What is the InChIKey of [6-[2-(4-methylphenyl)ethylamino]pyrimidin-4-yl]cyanamide?
The InChIKey is JNNHDWBHHOAMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-11-2-4-12(5-3-11)6-7-16-13-8-14(17-9-15)19-10-18-13/h2-5,8,10H,6-7H2,1H3,(H2,16,17,18,19).
What are the key properties of [6-[2-(4-methylphenyl)ethylamino]pyrimidin-4-yl]cyanamide?
[6-[2-(4-methylphenyl)ethylamino]pyrimidin-4-yl]cyanamide has a molecular weight of 253.31 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(4-methylphenyl)ethylamino]pyrimidin-4-yl]cyanamide is sourced from PubChem (CID 115264702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).