4-amino-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile

C12H18N6O — CID 146673965

IUPAC4-amino-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(NCCCN2CCOCC2)nc1N
InChIInChI=1S/C12H18N6O/c13-8-10-9-16-12(17-11(10)14)15-2-1-3-18-4-6-19-7-5-18/h9H,1-7H2,(H3,14,15,16,17)
InChIKeyOQNDNBONAOMDEX-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.06
Rot. Bonds5

About 4-amino-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile

4-amino-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile (PubChem CID 146673965) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-amino-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile
PubChem CID146673965
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name4-amino-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(NCCCN2CCOCC2)nc1N
InChIInChI=1S/C12H18N6O/c13-8-10-9-16-12(17-11(10)14)15-2-1-3-18-4-6-19-7-5-18/h9H,1-7H2,(H3,14,15,16,17)
InChIKeyOQNDNBONAOMDEX-UHFFFAOYSA-N
XLogP0.06
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine
CID 24823423
4-amino-2-(2-morpholin-4-ylbutylamino)pyrimidine-5-carbonitrile
CID 122563166
2-amino-3-(3-morpholin-4-ylpropylamino)benzonitrile
CID 104716278
2-amino-5-(3-morpholin-4-ylpropylamino)benzonitrile
CID 115499071
6-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbonitrile
CID 107543599
4-amino-6-(4-methoxyphenyl)-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile
CID 76506743
3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carbonitrile
CID 107056894
5-methyl-4-N-(3-morpholin-4-ylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773073
4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carboxylic acid
CID 83182094
N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-2-amine
CID 91801780
3-N-(3-morpholin-4-ylpropyl)pyrazine-2,3-diamine
CID 113228910
2-(3-morpholin-4-ylpropylamino)-5-phenylpyridine-3-carbonitrile
CID 21004425

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile (CID 146673965) is 4-amino-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile is N#Cc1cnc(NCCCN2CCOCC2)nc1N.
What is the InChIKey of 4-amino-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile?
The InChIKey is OQNDNBONAOMDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c13-8-10-9-16-12(17-11(10)14)15-2-1-3-18-4-6-19-7-5-18/h9H,1-7H2,(H3,14,15,16,17).
What are the key properties of 4-amino-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile?
4-amino-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile has a molecular weight of 262.32 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 146673965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).