methyl 6-[ethyl(methylamino)amino]-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate

About methyl 6-[ethyl(methylamino)amino]-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate

methyl 6-[ethyl(methylamino)amino]-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate (PubChem CID 126757207) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is methyl 6-[ethyl(methylamino)amino]-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate.

Molecular Properties

Compound Name	methyl 6-[ethyl(methylamino)amino]-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate
PubChem CID	126757207
Molecular Formula	C15H21N5O2S
Molecular Weight	335.43 g/mol
Exact Mass	335.14
IUPAC Name	methyl 6-[ethyl(methylamino)amino]-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate
SMILES	CCN(NC)C1CC2=C(C(=O)OC)CN=C(c3nccs3)N2C1
InChI	InChI=1S/C15H21N5O2S/c1-4-20(16-2)10-7-12-11(15(21)22-3)8-18-13(19(12)9-10)14-17-5-6-23-14/h5-6,10,16H,4,7-9H2,1-3H3
InChIKey	CPYPZCJPPQXIQD-UHFFFAOYSA-N
XLogP	0.86
TPSA	70.06 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	5
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.43
LogP ≤ 5	0.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of methyl 6-[ethyl(methylamino)amino]-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate?

The IUPAC name of methyl 6-[ethyl(methylamino)amino]-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate (CID 126757207) is methyl 6-[ethyl(methylamino)amino]-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate.

What is the SMILES notation for methyl 6-[ethyl(methylamino)amino]-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate?

The canonical SMILES for methyl 6-[ethyl(methylamino)amino]-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate is CCN(NC)C1CC2=C(C(=O)OC)CN=C(c3nccs3)N2C1.

What is the InChIKey of methyl 6-[ethyl(methylamino)amino]-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate?

The InChIKey is CPYPZCJPPQXIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-4-20(16-2)10-7-12-11(15(21)22-3)8-18-13(19(12)9-10)14-17-5-6-23-14/h5-6,10,16H,4,7-9H2,1-3H3.

What are the key properties of methyl 6-[ethyl(methylamino)amino]-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate?

methyl 6-[ethyl(methylamino)amino]-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate has a molecular weight of 335.43 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 6-[ethyl(methylamino)amino]-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate is sourced from PubChem (CID 126757207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).