5-bromo-2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine

C14H24BrN5 — CID 80847973

IUPAC5-bromo-2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(N(C)CC2CCCN2CC)n1
InChIInChI=1S/C14H24BrN5/c1-4-16-14-17-9-12(15)13(18-14)19(3)10-11-7-6-8-20(11)5-2/h9,11H,4-8,10H2,1-3H3,(H,16,17,18)
InChIKeyIKGNDSILHJUUQS-UHFFFAOYSA-N
MW342.29 g/mol
LogP2.59
Rot. Bonds6

About 5-bromo-2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine

5-bromo-2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine (PubChem CID 80847973) has the molecular formula C14H24BrN5 and a molecular weight of 342.29 g/mol. Its IUPAC name is 5-bromo-2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
PubChem CID80847973
Molecular FormulaC14H24BrN5
Molecular Weight342.29 g/mol
Exact Mass341.12
IUPAC Name5-bromo-2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(N(C)CC2CCCN2CC)n1
InChIInChI=1S/C14H24BrN5/c1-4-16-14-17-9-12(15)13(18-14)19(3)10-11-7-6-8-20(11)5-2/h9,11H,4-8,10H2,1-3H3,(H,16,17,18)
InChIKeyIKGNDSILHJUUQS-UHFFFAOYSA-N
XLogP2.59
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80836014
5-bromo-4-N-cycloheptyl-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80789656
5-bromo-4-N-(cyclobutylmethyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80825500
2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 80799994
5-bromo-3-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
CID 79318610
5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine
CID 107380506
6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80848598
2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine
CID 80777288
5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,4-dimethylpyrimidin-2-amine
CID 83185525
5-bromo-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 80848913
3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-4-amine
CID 104778534
5-bromo-4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine
CID 80775626

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine (CID 80847973) is 5-bromo-2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine is CCNc1ncc(Br)c(N(C)CC2CCCN2CC)n1.
What is the InChIKey of 5-bromo-2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is IKGNDSILHJUUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN5/c1-4-16-14-17-9-12(15)13(18-14)19(3)10-11-7-6-8-20(11)5-2/h9,11H,4-8,10H2,1-3H3,(H,16,17,18).
What are the key properties of 5-bromo-2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine?
5-bromo-2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 342.29 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80847973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).