N-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide

C17H23N5O3 — CID 56756457

IUPACN-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCc1nc(C(C)C)ncc1C(=O)N[C@@H]1C[C@H]2C(=O)N(C)CC(=O)N2C1
InChIInChI=1S/C17H23N5O3/c1-9(2)15-18-6-12(10(3)19-15)16(24)20-11-5-13-17(25)21(4)8-14(23)22(13)7-11/h6,9,11,13H,5,7-8H2,1-4H3,(H,20,24)/t11-,13+/m1/s1
InChIKeyLWMRUTRMZPVONL-YPMHNXCESA-N
MW345.40 g/mol
LogP0.08
Rot. Bonds3

About N-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide

N-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 56756457) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
PubChem CID56756457
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC NameN-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCc1nc(C(C)C)ncc1C(=O)N[C@@H]1C[C@H]2C(=O)N(C)CC(=O)N2C1
InChIInChI=1S/C17H23N5O3/c1-9(2)15-18-6-12(10(3)19-15)16(24)20-11-5-13-17(25)21(4)8-14(23)22(13)7-11/h6,9,11,13H,5,7-8H2,1-4H3,(H,20,24)/t11-,13+/m1/s1
InChIKeyLWMRUTRMZPVONL-YPMHNXCESA-N
XLogP0.08
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide (CID 56756457) is N-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide is Cc1nc(C(C)C)ncc1C(=O)N[C@@H]1C[C@H]2C(=O)N(C)CC(=O)N2C1.
What is the InChIKey of N-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is LWMRUTRMZPVONL-YPMHNXCESA-N. The full InChI is InChI=1S/C17H23N5O3/c1-9(2)15-18-6-12(10(3)19-15)16(24)20-11-5-13-17(25)21(4)8-14(23)22(13)7-11/h6,9,11,13H,5,7-8H2,1-4H3,(H,20,24)/t11-,13+/m1/s1.
What are the key properties of N-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide?
N-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 56756457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).