4-N-(5-bromo-2-pyridinyl)-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine

C16H22BrN7O — CID 19143888

IUPAC4-N-(5-bromo-2-pyridinyl)-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine
SMILESNc1c(NCCCN2CCOCC2)ncnc1Nc1ccc(Br)cn1
InChIInChI=1S/C16H22BrN7O/c17-12-2-3-13(20-10-12)23-16-14(18)15(21-11-22-16)19-4-1-5-24-6-8-25-9-7-24/h2-3,10-11H,1,4-9,18H2,(H2,19,20,21,22,23)
InChIKeyFWTGYQWSPKEBAW-UHFFFAOYSA-N
MW408.30 g/mol
LogP2.09
Rot. Bonds7

About 4-N-(5-bromo-2-pyridinyl)-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine

4-N-(5-bromo-2-pyridinyl)-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine (PubChem CID 19143888) has the molecular formula C16H22BrN7O and a molecular weight of 408.30 g/mol. Its IUPAC name is 4-N-(5-bromo-2-pyridinyl)-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(5-bromo-2-pyridinyl)-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine
PubChem CID19143888
Molecular FormulaC16H22BrN7O
Molecular Weight408.30 g/mol
Exact Mass407.11
IUPAC Name4-N-(5-bromo-2-pyridinyl)-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine
SMILESNc1c(NCCCN2CCOCC2)ncnc1Nc1ccc(Br)cn1
InChIInChI=1S/C16H22BrN7O/c17-12-2-3-13(20-10-12)23-16-14(18)15(21-11-22-16)19-4-1-5-24-6-8-25-9-7-24/h2-3,10-11H,1,4-9,18H2,(H2,19,20,21,22,23)
InChIKeyFWTGYQWSPKEBAW-UHFFFAOYSA-N
XLogP2.09
TPSA101.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.30
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-N-(5-bromo-2-pyridinyl)-6-N-propylpyrimidine-4,5,6-triamine
CID 19135431
4-N-(2,5-dimethylphenyl)-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine
CID 22547018
6-N-(3-morpholin-4-ylpropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19143972
6-N-(3-morpholin-4-ylpropyl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 19143987
5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66341208
6-N-(3-morpholin-4-ylpropyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19143899
2-[4-[5-amino-6-[(5-bromo-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 19140633
4-N-(3,5-dimethylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 22541072
4-N-(4-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 19148640
4-N,4-N-dibenzyl-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine
CID 19136362
4-N-(5-bromo-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19137129
3-N-(3-morpholin-4-ylpropyl)pyrazine-2,3-diamine
CID 113228910

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-bromo-2-pyridinyl)-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(5-bromo-2-pyridinyl)-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine (CID 19143888) is 4-N-(5-bromo-2-pyridinyl)-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(5-bromo-2-pyridinyl)-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(5-bromo-2-pyridinyl)-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine is Nc1c(NCCCN2CCOCC2)ncnc1Nc1ccc(Br)cn1.
What is the InChIKey of 4-N-(5-bromo-2-pyridinyl)-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine?
The InChIKey is FWTGYQWSPKEBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN7O/c17-12-2-3-13(20-10-12)23-16-14(18)15(21-11-22-16)19-4-1-5-24-6-8-25-9-7-24/h2-3,10-11H,1,4-9,18H2,(H2,19,20,21,22,23).
What are the key properties of 4-N-(5-bromo-2-pyridinyl)-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine?
4-N-(5-bromo-2-pyridinyl)-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine has a molecular weight of 408.30 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-bromo-2-pyridinyl)-6-N-(3-morpholin-4-ylpropyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19143888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).