6-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbonitrile

C13H19N5O — CID 107543599

IUPAC6-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NCCCN2CCOCC2)n1
InChIInChI=1S/C13H19N5O/c1-11-9-12(10-14)17-13(16-11)15-3-2-4-18-5-7-19-8-6-18/h9H,2-8H2,1H3,(H,15,16,17)
InChIKeyNXIGSFHWOOIQKI-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.79
Rot. Bonds5

About 6-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbonitrile

6-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbonitrile (PubChem CID 107543599) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 6-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbonitrile
PubChem CID107543599
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name6-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NCCCN2CCOCC2)n1
InChIInChI=1S/C13H19N5O/c1-11-9-12(10-14)17-13(16-11)15-3-2-4-18-5-7-19-8-6-18/h9H,2-8H2,1H3,(H,15,16,17)
InChIKeyNXIGSFHWOOIQKI-UHFFFAOYSA-N
XLogP0.79
TPSA74.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]pyrimidine-4-carbonitrile
CID 107551946
2-(hexylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544597
6-methyl-2-(3-methylsulfinylpropylamino)pyrimidine-4-carbonitrile
CID 107545250
2-(3-methoxypropylamino)-6-methylpyrimidine-4-carbonitrile
CID 110383439
2,4-dimethyl-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile
CID 162638269
6-methyl-4-N-(3-morpholin-4-ylpropyl)-2-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine
CID 10785410
4-amino-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile
CID 146673965
2-N-[3-(dimethylamino)propyl]-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913122
4-amino-6-(4-methoxyphenyl)-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile
CID 76506743
2-(4-imidazol-1-ylbutylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544221
6-methyl-2-(2-methylsulfinylethylamino)pyrimidine-4-carbonitrile
CID 107545228
5-methyl-2-(3-morpholin-4-ylpropylamino)benzonitrile
CID 107927013

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbonitrile (CID 107543599) is 6-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbonitrile is Cc1cc(C#N)nc(NCCCN2CCOCC2)n1.
What is the InChIKey of 6-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbonitrile?
The InChIKey is NXIGSFHWOOIQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-11-9-12(10-14)17-13(16-11)15-3-2-4-18-5-7-19-8-6-18/h9H,2-8H2,1H3,(H,15,16,17).
What are the key properties of 6-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbonitrile?
6-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbonitrile has a molecular weight of 261.33 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107543599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).