2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylmethyl)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine

C15H17N5 — CID 167063803

IUPAC2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylmethyl)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCN1Cc2cnc(CN3Cc4ccncc4C3)nc2C1
InChIInChI=1S/C15H17N5/c1-19-6-13-5-17-15(18-14(13)9-19)10-20-7-11-2-3-16-4-12(11)8-20/h2-5H,6-10H2,1H3
InChIKeyFXDHRGLBDYVREK-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.33
Rot. Bonds2

About 2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylmethyl)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine

2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylmethyl)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine (PubChem CID 167063803) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylmethyl)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylmethyl)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
PubChem CID167063803
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylmethyl)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCN1Cc2cnc(CN3Cc4ccncc4C3)nc2C1
InChIInChI=1S/C15H17N5/c1-19-6-13-5-17-15(18-14(13)9-19)10-20-7-11-2-3-16-4-12(11)8-20/h2-5H,6-10H2,1H3
InChIKeyFXDHRGLBDYVREK-UHFFFAOYSA-N
XLogP1.33
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-2-(pyrrolidin-1-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 142805068
6-[(4-chloro-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913725
2-(2,2-difluoroethoxy)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine;ethane
CID 145047492
2-ethyl-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 126630251
6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine;6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 166543174
1,3-dihydropyrrolo[3,4-c]pyridin-2-amine
CID 89418615
2-(6-propyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)acetic acid
CID 83917721
2-(2-methylbutan-2-yl)-1,3-dihydropyrrolo[3,4-c]pyridine
CID 123786311
2-tert-butyl-6-[(4-chloro-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913718
2-tert-butyl-6-[(3-chloro-4-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915251
[2-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]methanamine
CID 105478159
2-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
CID 24910029

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylmethyl)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylmethyl)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine (CID 167063803) is 2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylmethyl)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylmethyl)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylmethyl)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine is CN1Cc2cnc(CN3Cc4ccncc4C3)nc2C1.
What is the InChIKey of 2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylmethyl)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The InChIKey is FXDHRGLBDYVREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-19-6-13-5-17-15(18-14(13)9-19)10-20-7-11-2-3-16-4-12(11)8-20/h2-5H,6-10H2,1H3.
What are the key properties of 2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylmethyl)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylmethyl)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine has a molecular weight of 267.34 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylmethyl)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 167063803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).