N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine

C12H21BrN4O — CID 106999636

IUPACN'-(5-bromo-4-methoxypyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine
SMILESCOc1nc(N(C)CCNC(C)(C)C)ncc1Br
InChIInChI=1S/C12H21BrN4O/c1-12(2,3)15-6-7-17(4)11-14-8-9(13)10(16-11)18-5/h8,15H,6-7H2,1-5H3
InChIKeyXLNGTTFBPZFBPU-UHFFFAOYSA-N
MW317.23 g/mol
LogP2.07
Rot. Bonds5

About N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine

N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine (PubChem CID 106999636) has the molecular formula C12H21BrN4O and a molecular weight of 317.23 g/mol. Its IUPAC name is N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-bromo-4-methoxypyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine
PubChem CID106999636
Molecular FormulaC12H21BrN4O
Molecular Weight317.23 g/mol
Exact Mass316.09
IUPAC NameN'-(5-bromo-4-methoxypyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine
SMILESCOc1nc(N(C)CCNC(C)(C)C)ncc1Br
InChIInChI=1S/C12H21BrN4O/c1-12(2,3)15-6-7-17(4)11-14-8-9(13)10(16-11)18-5/h8,15H,6-7H2,1-5H3
InChIKeyXLNGTTFBPZFBPU-UHFFFAOYSA-N
XLogP2.07
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(2-bromoethyl)-4-methoxy-N-methylpyrimidin-2-amine
CID 106999813
1-[(5-bromo-4-methoxypyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol
CID 103872979
N'-(5-bromopyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine
CID 63873229
5-bromo-N-(1-chloro-2-methylpropan-2-yl)-4-methoxy-N-methylpyrimidin-2-amine
CID 106999859
5-bromo-4-methoxy-N-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine
CID 106998130
N-[[4-(aminomethyl)phenyl]methyl]-5-bromo-4-methoxy-N-methylpyrimidin-2-amine
CID 106997357
N-[(4-aminophenyl)methyl]-5-bromo-4-methoxy-N-methylpyrimidin-2-amine
CID 106998375
5-bromo-4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine
CID 103745889
5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 103726633
5-bromo-N-(2-chloroethyl)-N-ethyl-4-methoxypyrimidin-2-amine
CID 106999735
5-bromo-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine
CID 103745897
5-bromo-N-(3,5-dimethylphenyl)-4-methoxy-N-methylpyrimidin-2-amine
CID 106998870

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine (CID 106999636) is N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine is COc1nc(N(C)CCNC(C)(C)C)ncc1Br.
What is the InChIKey of N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine?
The InChIKey is XLNGTTFBPZFBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN4O/c1-12(2,3)15-6-7-17(4)11-14-8-9(13)10(16-11)18-5/h8,15H,6-7H2,1-5H3.
What are the key properties of N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine?
N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine has a molecular weight of 317.23 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 106999636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).