6-bromo-5-ethenyl-4-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine

C15H18BrN5O — CID 143021220

IUPAC6-bromo-5-ethenyl-4-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
SMILESC=Cc1c(Br)nc(N)nc1NCc1ncc(C)c(OC)c1C
InChIInChI=1S/C15H18BrN5O/c1-5-10-13(16)20-15(17)21-14(10)19-7-11-9(3)12(22-4)8(2)6-18-11/h5-6H,1,7H2,2-4H3,(H3,17,19,20,21)
InChIKeyKSFAAOURCONCAQ-UHFFFAOYSA-N
MW364.25 g/mol
LogP3.10
Rot. Bonds5

About 6-bromo-5-ethenyl-4-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine

6-bromo-5-ethenyl-4-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine (PubChem CID 143021220) has the molecular formula C15H18BrN5O and a molecular weight of 364.25 g/mol. Its IUPAC name is 6-bromo-5-ethenyl-4-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-bromo-5-ethenyl-4-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
PubChem CID143021220
Molecular FormulaC15H18BrN5O
Molecular Weight364.25 g/mol
Exact Mass363.07
IUPAC Name6-bromo-5-ethenyl-4-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
SMILESC=Cc1c(Br)nc(N)nc1NCc1ncc(C)c(OC)c1C
InChIInChI=1S/C15H18BrN5O/c1-5-10-13(16)20-15(17)21-14(10)19-7-11-9(3)12(22-4)8(2)6-18-11/h5-6H,1,7H2,2-4H3,(H3,17,19,20,21)
InChIKeyKSFAAOURCONCAQ-UHFFFAOYSA-N
XLogP3.10
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-ethenyl-4-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-bromo-5-ethenyl-4-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine (CID 143021220) is 6-bromo-5-ethenyl-4-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-bromo-5-ethenyl-4-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-bromo-5-ethenyl-4-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine is C=Cc1c(Br)nc(N)nc1NCc1ncc(C)c(OC)c1C.
What is the InChIKey of 6-bromo-5-ethenyl-4-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is KSFAAOURCONCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5O/c1-5-10-13(16)20-15(17)21-14(10)19-7-11-9(3)12(22-4)8(2)6-18-11/h5-6H,1,7H2,2-4H3,(H3,17,19,20,21).
What are the key properties of 6-bromo-5-ethenyl-4-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine?
6-bromo-5-ethenyl-4-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 364.25 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-ethenyl-4-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 143021220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).