2-(3-methoxypropylamino)-6-methylpyrimidine-4-carbonitrile

C10H14N4O — CID 110383439

IUPAC2-(3-methoxypropylamino)-6-methylpyrimidine-4-carbonitrile
SMILESCOCCCNc1nc(C)cc(C#N)n1
InChIInChI=1S/C10H14N4O/c1-8-6-9(7-11)14-10(13-8)12-4-3-5-15-2/h6H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyWTRJWIPANAKPIZ-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.11
Rot. Bonds5

About 2-(3-methoxypropylamino)-6-methylpyrimidine-4-carbonitrile

2-(3-methoxypropylamino)-6-methylpyrimidine-4-carbonitrile (PubChem CID 110383439) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-(3-methoxypropylamino)-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(3-methoxypropylamino)-6-methylpyrimidine-4-carbonitrile
PubChem CID110383439
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-(3-methoxypropylamino)-6-methylpyrimidine-4-carbonitrile
SMILESCOCCCNc1nc(C)cc(C#N)n1
InChIInChI=1S/C10H14N4O/c1-8-6-9(7-11)14-10(13-8)12-4-3-5-15-2/h6H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyWTRJWIPANAKPIZ-UHFFFAOYSA-N
XLogP1.11
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methyl-2-(3-propoxypropylamino)pyrimidine-4-carbonitrile
CID 107545023
2-(hexylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544597
2-[3-(4-aminocyclohexyl)oxypropylamino]-6-methylpyrimidine-4-carbonitrile
CID 107552537
6-methyl-2-(3-methylsulfinylpropylamino)pyrimidine-4-carbonitrile
CID 107545250
2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 110383441
6-methyl-2-(2-methylsulfinylethylamino)pyrimidine-4-carbonitrile
CID 107545228
N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112636619
6-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbonitrile
CID 107543599
6-methyl-2-(2-methylbutan-2-ylamino)pyrimidine-4-carbonitrile
CID 107543261
2-(2,2-dimethylheptylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544876
2-(3-hydroxypentylamino)-6-methylpyrimidine-4-carbonitrile
CID 107545273
2-(4-imidazol-1-ylbutylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544221

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropylamino)-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-(3-methoxypropylamino)-6-methylpyrimidine-4-carbonitrile (CID 110383439) is 2-(3-methoxypropylamino)-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(3-methoxypropylamino)-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-(3-methoxypropylamino)-6-methylpyrimidine-4-carbonitrile is COCCCNc1nc(C)cc(C#N)n1.
What is the InChIKey of 2-(3-methoxypropylamino)-6-methylpyrimidine-4-carbonitrile?
The InChIKey is WTRJWIPANAKPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-8-6-9(7-11)14-10(13-8)12-4-3-5-15-2/h6H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 2-(3-methoxypropylamino)-6-methylpyrimidine-4-carbonitrile?
2-(3-methoxypropylamino)-6-methylpyrimidine-4-carbonitrile has a molecular weight of 206.25 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylamino)-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 110383439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).