5-[7-(3-methylpiperidin-3-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine;hydrochloride

C20H29ClN8O — CID 118436304

IUPAC5-[7-(3-methylpiperidin-3-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine;hydrochloride
SMILESCC1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCCNC1.Cl
InChIInChI=1S/C20H28N8O.ClH/c1-20(4-2-5-22-13-20)28-6-3-15-16(14-11-23-18(21)24-12-14)25-19(26-17(15)28)27-7-9-29-10-8-27;/h11-12,22H,2-10,13H2,1H3,(H2,21,23,24);1H
InChIKeySJMJIYSUDCTSAB-UHFFFAOYSA-N
MW432.96 g/mol
LogP1.28
Rot. Bonds3

About 5-[7-(3-methylpiperidin-3-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine;hydrochloride

5-[7-(3-methylpiperidin-3-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine;hydrochloride (PubChem CID 118436304) has the molecular formula C20H29ClN8O and a molecular weight of 432.96 g/mol. Its IUPAC name is 5-[7-(3-methylpiperidin-3-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[7-(3-methylpiperidin-3-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine;hydrochloride
PubChem CID118436304
Molecular FormulaC20H29ClN8O
Molecular Weight432.96 g/mol
Exact Mass432.22
IUPAC Name5-[7-(3-methylpiperidin-3-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine;hydrochloride
SMILESCC1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCCNC1.Cl
InChIInChI=1S/C20H28N8O.ClH/c1-20(4-2-5-22-13-20)28-6-3-15-16(14-11-23-18(21)24-12-14)25-19(26-17(15)28)27-7-9-29-10-8-27;/h11-12,22H,2-10,13H2,1H3,(H2,21,23,24);1H
InChIKeySJMJIYSUDCTSAB-UHFFFAOYSA-N
XLogP1.28
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.96
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[7-(3-methylpiperidin-3-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine;hydrochloride?
The IUPAC name of 5-[7-(3-methylpiperidin-3-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine;hydrochloride (CID 118436304) is 5-[7-(3-methylpiperidin-3-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine;hydrochloride.
What is the SMILES notation for 5-[7-(3-methylpiperidin-3-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine;hydrochloride?
The canonical SMILES for 5-[7-(3-methylpiperidin-3-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine;hydrochloride is CC1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCCNC1.Cl.
What is the InChIKey of 5-[7-(3-methylpiperidin-3-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine;hydrochloride?
The InChIKey is SJMJIYSUDCTSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N8O.ClH/c1-20(4-2-5-22-13-20)28-6-3-15-16(14-11-23-18(21)24-12-14)25-19(26-17(15)28)27-7-9-29-10-8-27;/h11-12,22H,2-10,13H2,1H3,(H2,21,23,24);1H.
What are the key properties of 5-[7-(3-methylpiperidin-3-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine;hydrochloride?
5-[7-(3-methylpiperidin-3-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine;hydrochloride has a molecular weight of 432.96 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(3-methylpiperidin-3-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 118436304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).