N-[5-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]-1,3-thiazol-2-yl]acetamide

C16H19N5O2S — CID 56749860

IUPACN-[5-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(C(=O)N2Cc3cnc(CC(C)C)nc3C2)s1
InChIInChI=1S/C16H19N5O2S/c1-9(2)4-14-17-5-11-7-21(8-12(11)20-14)15(23)13-6-18-16(24-13)19-10(3)22/h5-6,9H,4,7-8H2,1-3H3,(H,18,19,22)
InChIKeyKFTBDNKTJSPGDT-UHFFFAOYSA-N
MW345.43 g/mol
LogP2.25
Rot. Bonds4

About N-[5-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]-1,3-thiazol-2-yl]acetamide

N-[5-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 56749860) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is N-[5-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]-1,3-thiazol-2-yl]acetamide
PubChem CID56749860
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC NameN-[5-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(C(=O)N2Cc3cnc(CC(C)C)nc3C2)s1
InChIInChI=1S/C16H19N5O2S/c1-9(2)4-14-17-5-11-7-21(8-12(11)20-14)15(23)13-6-18-16(24-13)19-10(3)22/h5-6,9H,4,7-8H2,1-3H3,(H,18,19,22)
InChIKeyKFTBDNKTJSPGDT-UHFFFAOYSA-N
XLogP2.25
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]-1,3-thiazol-2-yl]acetamide (CID 56749860) is N-[5-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(C(=O)N2Cc3cnc(CC(C)C)nc3C2)s1.
What is the InChIKey of N-[5-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is KFTBDNKTJSPGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-9(2)4-14-17-5-11-7-21(8-12(11)20-14)15(23)13-6-18-16(24-13)19-10(3)22/h5-6,9H,4,7-8H2,1-3H3,(H,18,19,22).
What are the key properties of N-[5-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 345.43 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 56749860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).