5-bromo-4-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine

C14H23BrN4O — CID 106998331

IUPAC5-bromo-4-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
SMILESCOc1nc(N(CC(C)C)CC2CCCN2)ncc1Br
InChIInChI=1S/C14H23BrN4O/c1-10(2)8-19(9-11-5-4-6-16-11)14-17-7-12(15)13(18-14)20-3/h7,10-11,16H,4-6,8-9H2,1-3H3
InChIKeyOSOAVSBANGURQX-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.46
Rot. Bonds6

About 5-bromo-4-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine

5-bromo-4-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine (PubChem CID 106998331) has the molecular formula C14H23BrN4O and a molecular weight of 343.27 g/mol. Its IUPAC name is 5-bromo-4-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
PubChem CID106998331
Molecular FormulaC14H23BrN4O
Molecular Weight343.27 g/mol
Exact Mass342.11
IUPAC Name5-bromo-4-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
SMILESCOc1nc(N(CC(C)C)CC2CCCN2)ncc1Br
InChIInChI=1S/C14H23BrN4O/c1-10(2)8-19(9-11-5-4-6-16-11)14-17-7-12(15)13(18-14)20-3/h7,10-11,16H,4-6,8-9H2,1-3H3
InChIKeyOSOAVSBANGURQX-UHFFFAOYSA-N
XLogP2.46
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-methoxy-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106998327
5-bromo-N-cyclopropyl-4-methoxy-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
CID 106998335
3,5-dibromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620585
2-[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]-4-methoxypyrimidine-5-carbonitrile
CID 144983920
5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethoxy)pyrimidine
CID 106999581
3-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620786
6-ethoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrazin-2-amine
CID 106620698
6-chloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrazin-2-amine
CID 106620787
6-ethoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106620572
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine
CID 106620797
N-(2-methylpropyl)-6-propoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106620729
6-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620736

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine (CID 106998331) is 5-bromo-4-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine is COc1nc(N(CC(C)C)CC2CCCN2)ncc1Br.
What is the InChIKey of 5-bromo-4-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is OSOAVSBANGURQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN4O/c1-10(2)8-19(9-11-5-4-6-16-11)14-17-7-12(15)13(18-14)20-3/h7,10-11,16H,4-6,8-9H2,1-3H3.
What are the key properties of 5-bromo-4-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
5-bromo-4-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 343.27 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 106998331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).