2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine

C11H19N5O — CID 24823423

IUPAC2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine
SMILESNc1cnc(NCCCN2CCOCC2)nc1
InChIInChI=1S/C11H19N5O/c12-10-8-14-11(15-9-10)13-2-1-3-16-4-6-17-7-5-16/h8-9H,1-7,12H2,(H,13,14,15)
InChIKeyOSYDQJFYWNJULU-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.19
Rot. Bonds5

About 2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine

2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine (PubChem CID 24823423) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine
PubChem CID24823423
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine
SMILESNc1cnc(NCCCN2CCOCC2)nc1
InChIInChI=1S/C11H19N5O/c12-10-8-14-11(15-9-10)13-2-1-3-16-4-6-17-7-5-16/h8-9H,1-7,12H2,(H,13,14,15)
InChIKeyOSYDQJFYWNJULU-UHFFFAOYSA-N
XLogP0.19
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile
CID 146673965
2-N-[2-(azetidin-1-yl)ethyl]pyrimidine-2,5-diamine
CID 164651947
5-N-(3-morpholin-4-ylpropyl)pyridine-3,5-diamine
CID 113423694
3-N-(3-morpholin-4-ylpropyl)pyrazine-2,3-diamine
CID 113228910
N-(3-morpholin-4-ylpropyl)-2-propylpyrazolo[3,4-d]pyrimidin-6-amine
CID 141189467
4-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4,5-diamine
CID 114987621
5-methyl-4-N-(3-morpholin-4-ylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773073
N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-2-amine
CID 91801780
4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carboxylic acid
CID 83182094
5-fluoro-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 80771545
4,5-bis(furan-2-yl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 92571097
2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbothioamide
CID 107546554

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine?
The IUPAC name of 2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine (CID 24823423) is 2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine is Nc1cnc(NCCCN2CCOCC2)nc1.
What is the InChIKey of 2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine?
The InChIKey is OSYDQJFYWNJULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c12-10-8-14-11(15-9-10)13-2-1-3-16-4-6-17-7-5-16/h8-9H,1-7,12H2,(H,13,14,15).
What are the key properties of 2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine?
2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine has a molecular weight of 237.31 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine is sourced from PubChem (CID 24823423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).