5-bromo-N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine

C12H19BrN4O — CID 80844726

IUPAC5-bromo-N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCCNc1ncc(Br)c(N2CCC(COC)C2)n1
InChIInChI=1S/C12H19BrN4O/c1-3-14-12-15-6-10(13)11(16-12)17-5-4-9(7-17)8-18-2/h6,9H,3-5,7-8H2,1-2H3,(H,14,15,16)
InChIKeyGMHBQCIWDGKZMQ-UHFFFAOYSA-N
MW315.22 g/mol
LogP2.14
Rot. Bonds5

About 5-bromo-N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine

5-bromo-N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine (PubChem CID 80844726) has the molecular formula C12H19BrN4O and a molecular weight of 315.22 g/mol. Its IUPAC name is 5-bromo-N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
PubChem CID80844726
Molecular FormulaC12H19BrN4O
Molecular Weight315.22 g/mol
Exact Mass314.07
IUPAC Name5-bromo-N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCCNc1ncc(Br)c(N2CCC(COC)C2)n1
InChIInChI=1S/C12H19BrN4O/c1-3-14-12-15-6-10(13)11(16-12)17-5-4-9(7-17)8-18-2/h6,9H,3-5,7-8H2,1-2H3,(H,14,15,16)
InChIKeyGMHBQCIWDGKZMQ-UHFFFAOYSA-N
XLogP2.14
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-bromo-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-yl]hydrazine
CID 80917706
5-bromo-N-ethyl-4-(4-ethylazepan-1-yl)pyrimidin-2-amine
CID 80837449
N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidin-2-amine
CID 103328306
5-bromo-N-ethyl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 80767151
5-bromo-N-ethyl-4-thiomorpholin-4-ylpyrimidin-2-amine
CID 80763982
1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol
CID 81107678
[5-bromo-4-(4-ethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine
CID 80896698
5-bromo-N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 80810345
N-ethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazin-2-amine
CID 78998953
4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103328302
N-ethyl-8-[3-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyrazin-6-amine
CID 80844191
4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]piperazin-2-one
CID 80763945

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine (CID 80844726) is 5-bromo-N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine is CCNc1ncc(Br)c(N2CCC(COC)C2)n1.
What is the InChIKey of 5-bromo-N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
The InChIKey is GMHBQCIWDGKZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O/c1-3-14-12-15-6-10(13)11(16-12)17-5-4-9(7-17)8-18-2/h6,9H,3-5,7-8H2,1-2H3,(H,14,15,16).
What are the key properties of 5-bromo-N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
5-bromo-N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine has a molecular weight of 315.22 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 80844726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).