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

C15H20N4O2S — CID 126757126

IUPACmethyl 6-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate
SMILESCOC(=O)C1=C2CC(NC(C)C)CN2C(c2nccs2)=NC1
InChIInChI=1S/C15H20N4O2S/c1-9(2)18-10-6-12-11(15(20)21-3)7-17-13(19(12)8-10)14-16-4-5-22-14/h4-5,9-10,18H,6-8H2,1-3H3
InChIKeyNYGYIMYBYNZWJH-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.40
Rot. Bonds4

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

methyl 6-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate (PubChem CID 126757126) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is methyl 6-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate
PubChem CID126757126
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Namemethyl 6-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate
SMILESCOC(=O)C1=C2CC(NC(C)C)CN2C(c2nccs2)=NC1
InChIInChI=1S/C15H20N4O2S/c1-9(2)18-10-6-12-11(15(20)21-3)7-17-13(19(12)8-10)14-16-4-5-22-14/h4-5,9-10,18H,6-8H2,1-3H3
InChIKeyNYGYIMYBYNZWJH-UHFFFAOYSA-N
XLogP1.40
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate?
The IUPAC name of methyl 6-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate (CID 126757126) is methyl 6-(propan-2-ylamino)-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-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate is COC(=O)C1=C2CC(NC(C)C)CN2C(c2nccs2)=NC1.
What is the InChIKey of methyl 6-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate?
The InChIKey is NYGYIMYBYNZWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-9(2)18-10-6-12-11(15(20)21-3)7-17-13(19(12)8-10)14-16-4-5-22-14/h4-5,9-10,18H,6-8H2,1-3H3.
What are the key properties of methyl 6-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate?
methyl 6-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate has a molecular weight of 320.42 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate is sourced from PubChem (CID 126757126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).