1-[6-(3-methylanilino)-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-2-yl]propan-2-one

C20H23N5O2 — CID 58060534

IUPAC1-[6-(3-methylanilino)-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-2-yl]propan-2-one
SMILESCC(=O)Cc1nc2c(c(N3CCOCC3)n1)N=C(Nc1cccc(C)c1)C2
InChIInChI=1S/C20H23N5O2/c1-13-4-3-5-15(10-13)21-18-12-16-19(23-18)20(25-6-8-27-9-7-25)24-17(22-16)11-14(2)26/h3-5,10H,6-9,11-12H2,1-2H3,(H,21,23)
InChIKeyBDQMTCWQYGEFJB-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.45
Rot. Bonds4

About 1-[6-(3-methylanilino)-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-2-yl]propan-2-one

1-[6-(3-methylanilino)-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-2-yl]propan-2-one (PubChem CID 58060534) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-[6-(3-methylanilino)-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[6-(3-methylanilino)-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-2-yl]propan-2-one
PubChem CID58060534
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name1-[6-(3-methylanilino)-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-2-yl]propan-2-one
SMILESCC(=O)Cc1nc2c(c(N3CCOCC3)n1)N=C(Nc1cccc(C)c1)C2
InChIInChI=1S/C20H23N5O2/c1-13-4-3-5-15(10-13)21-18-12-16-19(23-18)20(25-6-8-27-9-7-25)24-17(22-16)11-14(2)26/h3-5,10H,6-9,11-12H2,1-2H3,(H,21,23)
InChIKeyBDQMTCWQYGEFJB-UHFFFAOYSA-N
XLogP2.45
TPSA79.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-methylanilino)-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-2-yl]propan-2-one?
The IUPAC name of 1-[6-(3-methylanilino)-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-2-yl]propan-2-one (CID 58060534) is 1-[6-(3-methylanilino)-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[6-(3-methylanilino)-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-2-yl]propan-2-one?
The canonical SMILES for 1-[6-(3-methylanilino)-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-2-yl]propan-2-one is CC(=O)Cc1nc2c(c(N3CCOCC3)n1)N=C(Nc1cccc(C)c1)C2.
What is the InChIKey of 1-[6-(3-methylanilino)-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-2-yl]propan-2-one?
The InChIKey is BDQMTCWQYGEFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-13-4-3-5-15(10-13)21-18-12-16-19(23-18)20(25-6-8-27-9-7-25)24-17(22-16)11-14(2)26/h3-5,10H,6-9,11-12H2,1-2H3,(H,21,23).
What are the key properties of 1-[6-(3-methylanilino)-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-2-yl]propan-2-one?
1-[6-(3-methylanilino)-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-2-yl]propan-2-one has a molecular weight of 365.44 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-methylanilino)-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-2-yl]propan-2-one is sourced from PubChem (CID 58060534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).