5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine

C11H17BrN4O — CID 66341208

IUPAC5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
SMILESBrc1cncnc1NCCCN1CCOCC1
InChIInChI=1S/C11H17BrN4O/c12-10-8-13-9-15-11(10)14-2-1-3-16-4-6-17-7-5-16/h8-9H,1-7H2,(H,13,14,15)
InChIKeyOMYCCFSYKFHMSR-UHFFFAOYSA-N
MW301.19 g/mol
LogP1.37
Rot. Bonds5

About 5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine

5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine (PubChem CID 66341208) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
PubChem CID66341208
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
SMILESBrc1cncnc1NCCCN1CCOCC1
InChIInChI=1S/C11H17BrN4O/c12-10-8-13-9-15-11(10)14-2-1-3-16-4-6-17-7-5-16/h8-9H,1-7H2,(H,13,14,15)
InChIKeyOMYCCFSYKFHMSR-UHFFFAOYSA-N
XLogP1.37
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 51.37
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

5-bromo-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 66339705
3-bromo-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine
CID 79534604
1-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 22590085
4-N-(5-bromo-2-pyridinyl)-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine
CID 19143888
6-chloro-5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 63729586
3-bromo-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-4-amine
CID 84592604
3-N-(3-morpholin-4-ylpropyl)pyrazine-2,3-diamine
CID 113228910
2,5-dichloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 79633494
6-methoxy-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66324992
3-(3-morpholin-4-ylpropylamino)-1H-pyrazin-2-one
CID 115656848
6-ethyl-N-(3-morpholin-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 2076558
6-chloro-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylpyrimidin-4-amine
CID 63729585

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine (CID 66341208) is 5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine is Brc1cncnc1NCCCN1CCOCC1.
What is the InChIKey of 5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The InChIKey is OMYCCFSYKFHMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c12-10-8-13-9-15-11(10)14-2-1-3-16-4-6-17-7-5-16/h8-9H,1-7H2,(H,13,14,15).
What are the key properties of 5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine has a molecular weight of 301.19 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 66341208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).