5-(2-methoxy-4-pyridinyl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-propan-2-ylpyrrolo[3,2-d]pyrimidine-2,4-diamine

C19H21N7OS — CID 135129270

IUPAC5-(2-methoxy-4-pyridinyl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-propan-2-ylpyrrolo[3,2-d]pyrimidine-2,4-diamine
SMILESCOc1cc(-n2ccc3nc(Nc4cc(C)ns4)nc(NC(C)C)c32)ccn1
InChIInChI=1S/C19H21N7OS/c1-11(2)21-18-17-14(22-19(24-18)23-16-9-12(3)25-28-16)6-8-26(17)13-5-7-20-15(10-13)27-4/h5-11H,1-4H3,(H2,21,22,23,24)
InChIKeySXBWOAAPBKQZMK-UHFFFAOYSA-N
MW395.49 g/mol
LogP4.15
Rot. Bonds6

About 5-(2-methoxy-4-pyridinyl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-propan-2-ylpyrrolo[3,2-d]pyrimidine-2,4-diamine

5-(2-methoxy-4-pyridinyl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-propan-2-ylpyrrolo[3,2-d]pyrimidine-2,4-diamine (PubChem CID 135129270) has the molecular formula C19H21N7OS and a molecular weight of 395.49 g/mol. Its IUPAC name is 5-(2-methoxy-4-pyridinyl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-propan-2-ylpyrrolo[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(2-methoxy-4-pyridinyl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-propan-2-ylpyrrolo[3,2-d]pyrimidine-2,4-diamine
PubChem CID135129270
Molecular FormulaC19H21N7OS
Molecular Weight395.49 g/mol
Exact Mass395.15
IUPAC Name5-(2-methoxy-4-pyridinyl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-propan-2-ylpyrrolo[3,2-d]pyrimidine-2,4-diamine
SMILESCOc1cc(-n2ccc3nc(Nc4cc(C)ns4)nc(NC(C)C)c32)ccn1
InChIInChI=1S/C19H21N7OS/c1-11(2)21-18-17-14(22-19(24-18)23-16-9-12(3)25-28-16)6-8-26(17)13-5-7-20-15(10-13)27-4/h5-11H,1-4H3,(H2,21,22,23,24)
InChIKeySXBWOAAPBKQZMK-UHFFFAOYSA-N
XLogP4.15
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-(2-methoxy-4-pyridinyl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-propan-2-ylpyrrolo[3,2-d]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-4-pyridinyl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-propan-2-ylpyrrolo[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 5-(2-methoxy-4-pyridinyl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-propan-2-ylpyrrolo[3,2-d]pyrimidine-2,4-diamine (CID 135129270) is 5-(2-methoxy-4-pyridinyl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-propan-2-ylpyrrolo[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(2-methoxy-4-pyridinyl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-propan-2-ylpyrrolo[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 5-(2-methoxy-4-pyridinyl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-propan-2-ylpyrrolo[3,2-d]pyrimidine-2,4-diamine is COc1cc(-n2ccc3nc(Nc4cc(C)ns4)nc(NC(C)C)c32)ccn1.
What is the InChIKey of 5-(2-methoxy-4-pyridinyl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-propan-2-ylpyrrolo[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is SXBWOAAPBKQZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7OS/c1-11(2)21-18-17-14(22-19(24-18)23-16-9-12(3)25-28-16)6-8-26(17)13-5-7-20-15(10-13)27-4/h5-11H,1-4H3,(H2,21,22,23,24).
What are the key properties of 5-(2-methoxy-4-pyridinyl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-propan-2-ylpyrrolo[3,2-d]pyrimidine-2,4-diamine?
5-(2-methoxy-4-pyridinyl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-propan-2-ylpyrrolo[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 395.49 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-4-pyridinyl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-propan-2-ylpyrrolo[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 135129270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).