N-ethyl-2,5-dimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-4-amine

C16H27N5 — CID 80838425

IUPACN-ethyl-2,5-dimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-4-amine
SMILESCCNc1nc(C)nc(N2CC3CCCN3CC2C)c1C
InChIInChI=1S/C16H27N5/c1-5-17-15-12(3)16(19-13(4)18-15)21-10-14-7-6-8-20(14)9-11(21)2/h11,14H,5-10H2,1-4H3,(H,17,18,19)
InChIKeySUYJJPGXUMHTMG-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.20
Rot. Bonds3

About N-ethyl-2,5-dimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-4-amine

N-ethyl-2,5-dimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-4-amine (PubChem CID 80838425) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is N-ethyl-2,5-dimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2,5-dimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-4-amine
PubChem CID80838425
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC NameN-ethyl-2,5-dimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-4-amine
SMILESCCNc1nc(C)nc(N2CC3CCCN3CC2C)c1C
InChIInChI=1S/C16H27N5/c1-5-17-15-12(3)16(19-13(4)18-15)21-10-14-7-6-8-20(14)9-11(21)2/h11,14H,5-10H2,1-4H3,(H,17,18,19)
InChIKeySUYJJPGXUMHTMG-UHFFFAOYSA-N
XLogP2.20
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-2,5-dimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,5-dimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-2,5-dimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-4-amine (CID 80838425) is N-ethyl-2,5-dimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2,5-dimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2,5-dimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-4-amine is CCNc1nc(C)nc(N2CC3CCCN3CC2C)c1C.
What is the InChIKey of N-ethyl-2,5-dimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-4-amine?
The InChIKey is SUYJJPGXUMHTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-5-17-15-12(3)16(19-13(4)18-15)21-10-14-7-6-8-20(14)9-11(21)2/h11,14H,5-10H2,1-4H3,(H,17,18,19).
What are the key properties of N-ethyl-2,5-dimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-4-amine?
N-ethyl-2,5-dimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-4-amine has a molecular weight of 289.43 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,5-dimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 80838425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).