4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-6-ethylpyrimidine

C14H16BrN5 — CID 138019714

IUPAC4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-6-ethylpyrimidine
SMILESCCc1cc(N2CCCC2c2ncc(Br)cn2)ncn1
InChIInChI=1S/C14H16BrN5/c1-2-11-6-13(19-9-18-11)20-5-3-4-12(20)14-16-7-10(15)8-17-14/h6-9,12H,2-5H2,1H3
InChIKeyDPVZPYQGXKNPOY-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.93
Rot. Bonds3

About 4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-6-ethylpyrimidine

4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-6-ethylpyrimidine (PubChem CID 138019714) has the molecular formula C14H16BrN5 and a molecular weight of 334.22 g/mol. Its IUPAC name is 4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-6-ethylpyrimidine.

Molecular Properties

Compound Name4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-6-ethylpyrimidine
PubChem CID138019714
Molecular FormulaC14H16BrN5
Molecular Weight334.22 g/mol
Exact Mass333.06
IUPAC Name4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-6-ethylpyrimidine
SMILESCCc1cc(N2CCCC2c2ncc(Br)cn2)ncn1
InChIInChI=1S/C14H16BrN5/c1-2-11-6-13(19-9-18-11)20-5-3-4-12(20)14-16-7-10(15)8-17-14/h6-9,12H,2-5H2,1H3
InChIKeyDPVZPYQGXKNPOY-UHFFFAOYSA-N
XLogP2.93
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-bromoethyl)piperidin-1-yl]-6-ethylpyrimidine
CID 80670776
N-[[1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62591990
[1-(6-ethylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116636939
1-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]ethanamine
CID 63256097
N-[[1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
CID 55091054
1-(6-ethylpyrimidin-4-yl)-N-methylpiperidin-3-amine
CID 62545846
4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 138019722
3-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]propanoic acid
CID 62216304
4-[4-(chloromethyl)piperidin-1-yl]-6-ethylpyrimidine
CID 63390468
3-[1-(2,6-diethylpyrimidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 136568517
5-bromo-2-[1-[(2-methyltriazol-4-yl)methyl]piperidin-2-yl]pyrimidine
CID 146139633
[1-(6-propylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 61409380

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-6-ethylpyrimidine?
The IUPAC name of 4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-6-ethylpyrimidine (CID 138019714) is 4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-6-ethylpyrimidine.
What is the SMILES notation for 4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-6-ethylpyrimidine?
The canonical SMILES for 4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-6-ethylpyrimidine is CCc1cc(N2CCCC2c2ncc(Br)cn2)ncn1.
What is the InChIKey of 4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-6-ethylpyrimidine?
The InChIKey is DPVZPYQGXKNPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5/c1-2-11-6-13(19-9-18-11)20-5-3-4-12(20)14-16-7-10(15)8-17-14/h6-9,12H,2-5H2,1H3.
What are the key properties of 4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-6-ethylpyrimidine?
4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-6-ethylpyrimidine has a molecular weight of 334.22 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-bromopyrimidin-2-yl)pyrrolidin-1-yl]-6-ethylpyrimidine is sourced from PubChem (CID 138019714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).