5-bromo-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine

C11H18BrN5 — CID 80848913

IUPAC5-bromo-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCN(CC1CCCN1C)c1nc(N)ncc1Br
InChIInChI=1S/C11H18BrN5/c1-16-5-3-4-8(16)7-17(2)10-9(12)6-14-11(13)15-10/h6,8H,3-5,7H2,1-2H3,(H2,13,14,15)
InChIKeyVQRZRCBRPSVYAZ-UHFFFAOYSA-N
MW300.20 g/mol
LogP1.35
Rot. Bonds3

About 5-bromo-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine

5-bromo-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 80848913) has the molecular formula C11H18BrN5 and a molecular weight of 300.20 g/mol. Its IUPAC name is 5-bromo-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
PubChem CID80848913
Molecular FormulaC11H18BrN5
Molecular Weight300.20 g/mol
Exact Mass299.07
IUPAC Name5-bromo-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCN(CC1CCCN1C)c1nc(N)ncc1Br
InChIInChI=1S/C11H18BrN5/c1-16-5-3-4-8(16)7-17(2)10-9(12)6-14-11(13)15-10/h6,8H,3-5,7H2,1-2H3,(H2,13,14,15)
InChIKeyVQRZRCBRPSVYAZ-UHFFFAOYSA-N
XLogP1.35
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine (CID 80848913) is 5-bromo-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine is CN(CC1CCCN1C)c1nc(N)ncc1Br.
What is the InChIKey of 5-bromo-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is VQRZRCBRPSVYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN5/c1-16-5-3-4-8(16)7-17(2)10-9(12)6-14-11(13)15-10/h6,8H,3-5,7H2,1-2H3,(H2,13,14,15).
What are the key properties of 5-bromo-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine?
5-bromo-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 300.20 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80848913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).