[6-[methyl(pentyl)amino]pyrimidin-4-yl]cyanamide

C11H17N5 — CID 115264736

IUPAC[6-[methyl(pentyl)amino]pyrimidin-4-yl]cyanamide
SMILESCCCCCN(C)c1cc(NC#N)ncn1
InChIInChI=1S/C11H17N5/c1-3-4-5-6-16(2)11-7-10(13-8-12)14-9-15-11/h7,9H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyBHSBWJZVQHDNDZ-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.00
Rot. Bonds6

About [6-[methyl(pentyl)amino]pyrimidin-4-yl]cyanamide

[6-[methyl(pentyl)amino]pyrimidin-4-yl]cyanamide (PubChem CID 115264736) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is [6-[methyl(pentyl)amino]pyrimidin-4-yl]cyanamide.

Molecular Properties

Compound Name[6-[methyl(pentyl)amino]pyrimidin-4-yl]cyanamide
PubChem CID115264736
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name[6-[methyl(pentyl)amino]pyrimidin-4-yl]cyanamide
SMILESCCCCCN(C)c1cc(NC#N)ncn1
InChIInChI=1S/C11H17N5/c1-3-4-5-6-16(2)11-7-10(13-8-12)14-9-15-11/h7,9H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyBHSBWJZVQHDNDZ-UHFFFAOYSA-N
XLogP2.00
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-N-(2-amino-2-methylpropyl)-4-N-methyl-4-N-pentylpyrimidine-4,6-diamine
CID 115263934
4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80845621
5-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]pentan-1-ol
CID 107207483
4-N-butyl-6-N-(4-tert-butylphenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112864217
4-N-butyl-6-N-(2,6-dichlorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112864278
N-butyl-6-fluoro-N-methylpyrimidin-4-amine
CID 115416253
4-N-butyl-6-N-(2-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112864218
6-N-(2-bromo-4-methylphenyl)-4-N-butyl-4-N-methylpyrimidine-4,6-diamine
CID 112864264
[6-[methyl(oxan-4-ylmethyl)amino]pyrimidin-4-yl]cyanamide
CID 115264692
6-N-(1,3-benzodioxol-5-yl)-4-N-butyl-4-N-methylpyrimidine-4,6-diamine
CID 112864267
2-methyl-3-[methyl-[6-(propylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80810451
3-[methyl-(6-propylpyrimidin-4-yl)amino]propanenitrile
CID 61239560

Frequently Asked Questions

What is the IUPAC name of [6-[methyl(pentyl)amino]pyrimidin-4-yl]cyanamide?
The IUPAC name of [6-[methyl(pentyl)amino]pyrimidin-4-yl]cyanamide (CID 115264736) is [6-[methyl(pentyl)amino]pyrimidin-4-yl]cyanamide.
What is the SMILES notation for [6-[methyl(pentyl)amino]pyrimidin-4-yl]cyanamide?
The canonical SMILES for [6-[methyl(pentyl)amino]pyrimidin-4-yl]cyanamide is CCCCCN(C)c1cc(NC#N)ncn1.
What is the InChIKey of [6-[methyl(pentyl)amino]pyrimidin-4-yl]cyanamide?
The InChIKey is BHSBWJZVQHDNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-3-4-5-6-16(2)11-7-10(13-8-12)14-9-15-11/h7,9H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of [6-[methyl(pentyl)amino]pyrimidin-4-yl]cyanamide?
[6-[methyl(pentyl)amino]pyrimidin-4-yl]cyanamide has a molecular weight of 219.29 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[methyl(pentyl)amino]pyrimidin-4-yl]cyanamide is sourced from PubChem (CID 115264736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).