6-bromo-8-ethyl-4-methyl-N-(2-morpholin-4-ylethyl)-7H-pyrido[2,3-d]pyrimidin-2-amine

C16H24BrN5O — CID 69013805

IUPAC6-bromo-8-ethyl-4-methyl-N-(2-morpholin-4-ylethyl)-7H-pyrido[2,3-d]pyrimidin-2-amine
SMILESCCN1CC(Br)=Cc2c(C)nc(NCCN3CCOCC3)nc21
InChIInChI=1S/C16H24BrN5O/c1-3-22-11-13(17)10-14-12(2)19-16(20-15(14)22)18-4-5-21-6-8-23-9-7-21/h10H,3-9,11H2,1-2H3,(H,18,19,20)
InChIKeyPCVVITPULVCIFN-UHFFFAOYSA-N
MW382.31 g/mol
LogP2.10
Rot. Bonds5

About 6-bromo-8-ethyl-4-methyl-N-(2-morpholin-4-ylethyl)-7H-pyrido[2,3-d]pyrimidin-2-amine

6-bromo-8-ethyl-4-methyl-N-(2-morpholin-4-ylethyl)-7H-pyrido[2,3-d]pyrimidin-2-amine (PubChem CID 69013805) has the molecular formula C16H24BrN5O and a molecular weight of 382.31 g/mol. Its IUPAC name is 6-bromo-8-ethyl-4-methyl-N-(2-morpholin-4-ylethyl)-7H-pyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-bromo-8-ethyl-4-methyl-N-(2-morpholin-4-ylethyl)-7H-pyrido[2,3-d]pyrimidin-2-amine
PubChem CID69013805
Molecular FormulaC16H24BrN5O
Molecular Weight382.31 g/mol
Exact Mass381.12
IUPAC Name6-bromo-8-ethyl-4-methyl-N-(2-morpholin-4-ylethyl)-7H-pyrido[2,3-d]pyrimidin-2-amine
SMILESCCN1CC(Br)=Cc2c(C)nc(NCCN3CCOCC3)nc21
InChIInChI=1S/C16H24BrN5O/c1-3-22-11-13(17)10-14-12(2)19-16(20-15(14)22)18-4-5-21-6-8-23-9-7-21/h10H,3-9,11H2,1-2H3,(H,18,19,20)
InChIKeyPCVVITPULVCIFN-UHFFFAOYSA-N
XLogP2.10
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-ethyl-4-methyl-N-(2-morpholin-4-ylethyl)-7H-pyrido[2,3-d]pyrimidin-2-amine?
The IUPAC name of 6-bromo-8-ethyl-4-methyl-N-(2-morpholin-4-ylethyl)-7H-pyrido[2,3-d]pyrimidin-2-amine (CID 69013805) is 6-bromo-8-ethyl-4-methyl-N-(2-morpholin-4-ylethyl)-7H-pyrido[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-bromo-8-ethyl-4-methyl-N-(2-morpholin-4-ylethyl)-7H-pyrido[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-bromo-8-ethyl-4-methyl-N-(2-morpholin-4-ylethyl)-7H-pyrido[2,3-d]pyrimidin-2-amine is CCN1CC(Br)=Cc2c(C)nc(NCCN3CCOCC3)nc21.
What is the InChIKey of 6-bromo-8-ethyl-4-methyl-N-(2-morpholin-4-ylethyl)-7H-pyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is PCVVITPULVCIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN5O/c1-3-22-11-13(17)10-14-12(2)19-16(20-15(14)22)18-4-5-21-6-8-23-9-7-21/h10H,3-9,11H2,1-2H3,(H,18,19,20).
What are the key properties of 6-bromo-8-ethyl-4-methyl-N-(2-morpholin-4-ylethyl)-7H-pyrido[2,3-d]pyrimidin-2-amine?
6-bromo-8-ethyl-4-methyl-N-(2-morpholin-4-ylethyl)-7H-pyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 382.31 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-ethyl-4-methyl-N-(2-morpholin-4-ylethyl)-7H-pyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 69013805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).