N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide

C17H27N5O2 — CID 56749579

IUPACN-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)N[C@H]2C[C@H]3CN(C)CCN3C2)c(=O)n1
InChIInChI=1S/C17H27N5O2/c1-12-8-13(2)22(17(24)18-12)5-4-16(23)19-14-9-15-11-20(3)6-7-21(15)10-14/h8,14-15H,4-7,9-11H2,1-3H3,(H,19,23)/t14-,15-/m0/s1
InChIKeyNUXXZKTZMMMRBY-GJZGRUSLSA-N
MW333.44 g/mol
LogP-0.25
Rot. Bonds4

About N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide

N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide (PubChem CID 56749579) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide
PubChem CID56749579
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC NameN-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)N[C@H]2C[C@H]3CN(C)CCN3C2)c(=O)n1
InChIInChI=1S/C17H27N5O2/c1-12-8-13(2)22(17(24)18-12)5-4-16(23)19-14-9-15-11-20(3)6-7-21(15)10-14/h8,14-15H,4-7,9-11H2,1-3H3,(H,19,23)/t14-,15-/m0/s1
InChIKeyNUXXZKTZMMMRBY-GJZGRUSLSA-N
XLogP-0.25
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide?
The IUPAC name of N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide (CID 56749579) is N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide is Cc1cc(C)n(CCC(=O)N[C@H]2C[C@H]3CN(C)CCN3C2)c(=O)n1.
What is the InChIKey of N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide?
The InChIKey is NUXXZKTZMMMRBY-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-12-8-13(2)22(17(24)18-12)5-4-16(23)19-14-9-15-11-20(3)6-7-21(15)10-14/h8,14-15H,4-7,9-11H2,1-3H3,(H,19,23)/t14-,15-/m0/s1.
What are the key properties of N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide?
N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide has a molecular weight of 333.44 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 56749579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).