2-[3-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine

C18H19N5 — CID 141340828

IUPAC2-[3-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
SMILESCC1(C)CN=C(c2cccc(-c3cnc4[nH]ccc4n3)c2)NC1
InChIInChI=1S/C18H19N5/c1-18(2)10-21-16(22-11-18)13-5-3-4-12(8-13)15-9-20-17-14(23-15)6-7-19-17/h3-9H,10-11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyXWSQIIGXBDDLCD-UHFFFAOYSA-N
MW305.39 g/mol
LogP3.00
Rot. Bonds2

About 2-[3-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine

2-[3-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 141340828) has the molecular formula C18H19N5 and a molecular weight of 305.39 g/mol. Its IUPAC name is 2-[3-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-[3-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
PubChem CID141340828
Molecular FormulaC18H19N5
Molecular Weight305.39 g/mol
Exact Mass305.16
IUPAC Name2-[3-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
SMILESCC1(C)CN=C(c2cccc(-c3cnc4[nH]ccc4n3)c2)NC1
InChIInChI=1S/C18H19N5/c1-18(2)10-21-16(22-11-18)13-5-3-4-12(8-13)15-9-20-17-14(23-15)6-7-19-17/h3-9H,10-11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyXWSQIIGXBDDLCD-UHFFFAOYSA-N
XLogP3.00
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine with MolForge

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Related Compounds

Benzylaminopurine
CID 62389
2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Mavorixafor
CID 11256587
Toreforant
CID 23650961
Miransertib
CID 53262401
Vactosertib
CID 54766013
6-(4-((4-Ethyl-1-piperazinyl)methyl)phenyl)-N-((1R)-1-phenylethyl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 10297043
2-(pyridin-3-yl)-1H-1,3-benzodiazole
CID 247635
2,2'-Di-4-pyridinyl-5,5'-bi-1H-benzimidazole
CID 16659285
PF-4708671
CID 51371303
2-(Hydroxyamino)-1-methyl-6-phenylimidazo(4,5-b)pyridine
CID 104954
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-[3-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine (CID 141340828) is 2-[3-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-[3-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-[3-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine is CC1(C)CN=C(c2cccc(-c3cnc4[nH]ccc4n3)c2)NC1.
What is the InChIKey of 2-[3-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is XWSQIIGXBDDLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-18(2)10-21-16(22-11-18)13-5-3-4-12(8-13)15-9-20-17-14(23-15)6-7-19-17/h3-9H,10-11H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 2-[3-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine?
2-[3-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 305.39 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 141340828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).