5-bromo-2-[2-(dimethylamino)ethyl]-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine

C14H25BrN4 — CID 115347087

IUPAC5-bromo-2-[2-(dimethylamino)ethyl]-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCCNc1nc(CCN(C)C)nc(CC(C)C)c1Br
InChIInChI=1S/C14H25BrN4/c1-6-16-14-13(15)11(9-10(2)3)17-12(18-14)7-8-19(4)5/h10H,6-9H2,1-5H3,(H,16,17,18)
InChIKeyHBTHPOYIWWSYFK-UHFFFAOYSA-N
MW329.29 g/mol
LogP2.97
Rot. Bonds7

About 5-bromo-2-[2-(dimethylamino)ethyl]-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine

5-bromo-2-[2-(dimethylamino)ethyl]-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine (PubChem CID 115347087) has the molecular formula C14H25BrN4 and a molecular weight of 329.29 g/mol. Its IUPAC name is 5-bromo-2-[2-(dimethylamino)ethyl]-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-[2-(dimethylamino)ethyl]-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine
PubChem CID115347087
Molecular FormulaC14H25BrN4
Molecular Weight329.29 g/mol
Exact Mass328.13
IUPAC Name5-bromo-2-[2-(dimethylamino)ethyl]-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCCNc1nc(CCN(C)C)nc(CC(C)C)c1Br
InChIInChI=1S/C14H25BrN4/c1-6-16-14-13(15)11(9-10(2)3)17-12(18-14)7-8-19(4)5/h10H,6-9H2,1-5H3,(H,16,17,18)
InChIKeyHBTHPOYIWWSYFK-UHFFFAOYSA-N
XLogP2.97
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-ethyl-6-(2-methylpropyl)-2-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 103987890
5-bromo-N-ethyl-2-(2-methylpropylsulfanylmethyl)-6-propylpyrimidin-4-amine
CID 66305162
5-bromo-N-ethyl-2-(2-methylpropyl)-6-propan-2-ylpyrimidin-4-amine
CID 66300310
5-bromo-2-(2,2-dimethylcyclopropyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 107925754
N,6-diethyl-5-iodo-2-(2-methylpropyl)pyrimidin-4-amine
CID 66299485
5-bromo-N-ethyl-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 104806898
5-bromo-2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 102844115
N-ethyl-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-6-(2-methylpropyl)pyrimidin-4-amine
CID 102928949
5-bromo-6-cyclopropyl-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 66302752
2-[2-(dimethylamino)ethyl]-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 115347019
2-[2-(dimethylamino)ethyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 115347061
2-[2-(dimethylamino)ethyl]-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 115347025

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(dimethylamino)ethyl]-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-[2-(dimethylamino)ethyl]-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine (CID 115347087) is 5-bromo-2-[2-(dimethylamino)ethyl]-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-[2-(dimethylamino)ethyl]-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-[2-(dimethylamino)ethyl]-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine is CCNc1nc(CCN(C)C)nc(CC(C)C)c1Br.
What is the InChIKey of 5-bromo-2-[2-(dimethylamino)ethyl]-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine?
The InChIKey is HBTHPOYIWWSYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrN4/c1-6-16-14-13(15)11(9-10(2)3)17-12(18-14)7-8-19(4)5/h10H,6-9H2,1-5H3,(H,16,17,18).
What are the key properties of 5-bromo-2-[2-(dimethylamino)ethyl]-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine?
5-bromo-2-[2-(dimethylamino)ethyl]-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine has a molecular weight of 329.29 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(dimethylamino)ethyl]-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 115347087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).