7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine

C20H19N5O3 — CID 11948631

IUPAC7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1cc(Nc2ncc3ccn(-c4cccnc4)c3n2)cc(OC)c1OC
InChIInChI=1S/C20H19N5O3/c1-26-16-9-14(10-17(27-2)18(16)28-3)23-20-22-11-13-6-8-25(19(13)24-20)15-5-4-7-21-12-15/h4-12H,1-3H3,(H,22,23,24)
InChIKeyKCSORQVHOHMLSF-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.58
Rot. Bonds6

About 7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine

7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 11948631) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID11948631
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1cc(Nc2ncc3ccn(-c4cccnc4)c3n2)cc(OC)c1OC
InChIInChI=1S/C20H19N5O3/c1-26-16-9-14(10-17(27-2)18(16)28-3)23-20-22-11-13-6-8-25(19(13)24-20)15-5-4-7-21-12-15/h4-12H,1-3H3,(H,22,23,24)
InChIKeyKCSORQVHOHMLSF-UHFFFAOYSA-N
XLogP3.58
TPSA83.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine (CID 11948631) is 7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine is COc1cc(Nc2ncc3ccn(-c4cccnc4)c3n2)cc(OC)c1OC.
What is the InChIKey of 7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is KCSORQVHOHMLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-26-16-9-14(10-17(27-2)18(16)28-3)23-20-22-11-13-6-8-25(19(13)24-20)15-5-4-7-21-12-15/h4-12H,1-3H3,(H,22,23,24).
What are the key properties of 7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 377.40 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 11948631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).