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

C13H21BrN4O — CID 106998327

IUPAC5-bromo-4-methoxy-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
SMILESCCCN(CC1CCCN1)c1ncc(Br)c(OC)n1
InChIInChI=1S/C13H21BrN4O/c1-3-7-18(9-10-5-4-6-15-10)13-16-8-11(14)12(17-13)19-2/h8,10,15H,3-7,9H2,1-2H3
InChIKeyCSIOTZGMHOOQHS-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.22
Rot. Bonds6

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

5-bromo-4-methoxy-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine (PubChem CID 106998327) has the molecular formula C13H21BrN4O and a molecular weight of 329.24 g/mol. Its IUPAC name is 5-bromo-4-methoxy-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methoxy-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
PubChem CID106998327
Molecular FormulaC13H21BrN4O
Molecular Weight329.24 g/mol
Exact Mass328.09
IUPAC Name5-bromo-4-methoxy-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
SMILESCCCN(CC1CCCN1)c1ncc(Br)c(OC)n1
InChIInChI=1S/C13H21BrN4O/c1-3-7-18(9-10-5-4-6-15-10)13-16-8-11(14)12(17-13)19-2/h8,10,15H,3-7,9H2,1-2H3
InChIKeyCSIOTZGMHOOQHS-UHFFFAOYSA-N
XLogP2.22
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106998331
5-bromo-N-cyclopropyl-4-methoxy-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
CID 106998335
2-[ethyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]-4-methoxypyrimidine-5-carbonitrile
CID 144983920
6-methoxy-5-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106619899
5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethoxy)pyrimidine
CID 106999581
2-[(5-bromo-4-methoxypyrimidin-2-yl)-propylamino]ethanol
CID 103817617
N-butyl-4,6-dimethoxy-N-(pyrrolidin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 106620394
5-chloro-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine
CID 106642347
5,6-dimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrazin-2-amine
CID 106619724
3-bromo-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
CID 106619617
2-[propyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107552774
N-benzyl-5-bromo-4-methoxy-N-propylpyrimidin-2-amine
CID 106998746

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-methoxy-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine (CID 106998327) is 5-bromo-4-methoxy-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-methoxy-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-methoxy-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine is CCCN(CC1CCCN1)c1ncc(Br)c(OC)n1.
What is the InChIKey of 5-bromo-4-methoxy-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is CSIOTZGMHOOQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4O/c1-3-7-18(9-10-5-4-6-15-10)13-16-8-11(14)12(17-13)19-2/h8,10,15H,3-7,9H2,1-2H3.
What are the key properties of 5-bromo-4-methoxy-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
5-bromo-4-methoxy-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 329.24 g/mol, XLogP of 2.22, 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-propyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 106998327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).