5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-methoxypyrimidin-2-amine

C14H24BrN5O — CID 154736370

IUPAC5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-methoxypyrimidin-2-amine
SMILESCOc1nc(NCCN2CCC(N(C)C)CC2)ncc1Br
InChIInChI=1S/C14H24BrN5O/c1-19(2)11-4-7-20(8-5-11)9-6-16-14-17-10-12(15)13(18-14)21-3/h10-11H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyAEFHXTWXRWESIL-UHFFFAOYSA-N
MW358.28 g/mol
LogP1.69
Rot. Bonds6

About 5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-methoxypyrimidin-2-amine

5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-methoxypyrimidin-2-amine (PubChem CID 154736370) has the molecular formula C14H24BrN5O and a molecular weight of 358.28 g/mol. Its IUPAC name is 5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-methoxypyrimidin-2-amine
PubChem CID154736370
Molecular FormulaC14H24BrN5O
Molecular Weight358.28 g/mol
Exact Mass357.12
IUPAC Name5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-methoxypyrimidin-2-amine
SMILESCOc1nc(NCCN2CCC(N(C)C)CC2)ncc1Br
InChIInChI=1S/C14H24BrN5O/c1-19(2)11-4-7-20(8-5-11)9-6-16-14-17-10-12(15)13(18-14)21-3/h10-11H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyAEFHXTWXRWESIL-UHFFFAOYSA-N
XLogP1.69
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-2-amine
CID 103745781
5-bromo-4-methoxy-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine
CID 106998060
N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-cyclopropylethane-1,2-diamine
CID 106998101
N-(5-bromo-4-methoxypyrimidin-2-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 106997593
5-bromo-N-(2-cyclobutylethyl)-4-methoxypyrimidin-2-amine
CID 103748709
5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine
CID 103726573
5-bromo-N-(2-imidazol-1-ylethyl)-4-methoxypyrimidin-2-amine
CID 113434060
5-bromo-4-methoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine
CID 106998147
5-bromo-4-methoxy-N-(4-methoxybutyl)pyrimidin-2-amine
CID 103745831
5-bromo-4-methoxy-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 103746080
3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N,N-diethylpropanamide
CID 103745855
5-bromo-4-N-(1-ethylpiperidin-4-yl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80788308

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-methoxypyrimidin-2-amine?
The IUPAC name of 5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-methoxypyrimidin-2-amine (CID 154736370) is 5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-methoxypyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-methoxypyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-methoxypyrimidin-2-amine is COc1nc(NCCN2CCC(N(C)C)CC2)ncc1Br.
What is the InChIKey of 5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-methoxypyrimidin-2-amine?
The InChIKey is AEFHXTWXRWESIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN5O/c1-19(2)11-4-7-20(8-5-11)9-6-16-14-17-10-12(15)13(18-14)21-3/h10-11H,4-9H2,1-3H3,(H,16,17,18).
What are the key properties of 5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-methoxypyrimidin-2-amine?
5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-methoxypyrimidin-2-amine has a molecular weight of 358.28 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 154736370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).