4-[(3aR,6aS)-3a-methyl-2-(1,2-oxazol-5-ylmethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine

C19H24N8O — CID 155455321

IUPAC4-[(3aR,6aS)-3a-methyl-2-(1,2-oxazol-5-ylmethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCn1cc(Nc2nccc(N3C[C@@H]4CN(Cc5ccno5)C[C@]4(C)C3)n2)cn1
InChIInChI=1S/C19H24N8O/c1-19-12-26(11-16-3-6-22-28-16)8-14(19)9-27(13-19)17-4-5-20-18(24-17)23-15-7-21-25(2)10-15/h3-7,10,14H,8-9,11-13H2,1-2H3,(H,20,23,24)/t14-,19+/m0/s1
InChIKeyYSRAKYFUASNJID-IFXJQAMLSA-N
MW380.46 g/mol
LogP1.90
Rot. Bonds5

About 4-[(3aR,6aS)-3a-methyl-2-(1,2-oxazol-5-ylmethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine

4-[(3aR,6aS)-3a-methyl-2-(1,2-oxazol-5-ylmethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 155455321) has the molecular formula C19H24N8O and a molecular weight of 380.46 g/mol. Its IUPAC name is 4-[(3aR,6aS)-3a-methyl-2-(1,2-oxazol-5-ylmethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3aR,6aS)-3a-methyl-2-(1,2-oxazol-5-ylmethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID155455321
Molecular FormulaC19H24N8O
Molecular Weight380.46 g/mol
Exact Mass380.21
IUPAC Name4-[(3aR,6aS)-3a-methyl-2-(1,2-oxazol-5-ylmethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCn1cc(Nc2nccc(N3C[C@@H]4CN(Cc5ccno5)C[C@]4(C)C3)n2)cn1
InChIInChI=1S/C19H24N8O/c1-19-12-26(11-16-3-6-22-28-16)8-14(19)9-27(13-19)17-4-5-20-18(24-17)23-15-7-21-25(2)10-15/h3-7,10,14H,8-9,11-13H2,1-2H3,(H,20,23,24)/t14-,19+/m0/s1
InChIKeyYSRAKYFUASNJID-IFXJQAMLSA-N
XLogP1.90
TPSA88.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[(3aR,6aS)-3a-methyl-2-(1,2-oxazol-5-ylmethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(3aR,6aS)-3a-methyl-2-(1,2-oxazol-5-ylmethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-[(3aR,6aS)-3a-methyl-2-(1,2-oxazol-5-ylmethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine (CID 155455321) is 4-[(3aR,6aS)-3a-methyl-2-(1,2-oxazol-5-ylmethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-[(3aR,6aS)-3a-methyl-2-(1,2-oxazol-5-ylmethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-[(3aR,6aS)-3a-methyl-2-(1,2-oxazol-5-ylmethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine is Cn1cc(Nc2nccc(N3C[C@@H]4CN(Cc5ccno5)C[C@]4(C)C3)n2)cn1.
What is the InChIKey of 4-[(3aR,6aS)-3a-methyl-2-(1,2-oxazol-5-ylmethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is YSRAKYFUASNJID-IFXJQAMLSA-N. The full InChI is InChI=1S/C19H24N8O/c1-19-12-26(11-16-3-6-22-28-16)8-14(19)9-27(13-19)17-4-5-20-18(24-17)23-15-7-21-25(2)10-15/h3-7,10,14H,8-9,11-13H2,1-2H3,(H,20,23,24)/t14-,19+/m0/s1.
What are the key properties of 4-[(3aR,6aS)-3a-methyl-2-(1,2-oxazol-5-ylmethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
4-[(3aR,6aS)-3a-methyl-2-(1,2-oxazol-5-ylmethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 380.46 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3aR,6aS)-3a-methyl-2-(1,2-oxazol-5-ylmethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 155455321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).