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

C20H28N8O — CID 118436081

IUPAC5-[7-(4-methylpiperidin-4-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
SMILESCC1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCNCC1
InChIInChI=1S/C20H28N8O/c1-20(3-5-22-6-4-20)28-7-2-15-16(14-12-23-18(21)24-13-14)25-19(26-17(15)28)27-8-10-29-11-9-27/h12-13,22H,2-11H2,1H3,(H2,21,23,24)
InChIKeyDEUJZFLNVDVURG-UHFFFAOYSA-N
MW396.50 g/mol
LogP0.86
Rot. Bonds3

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

5-[7-(4-methylpiperidin-4-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine (PubChem CID 118436081) has the molecular formula C20H28N8O and a molecular weight of 396.50 g/mol. Its IUPAC name is 5-[7-(4-methylpiperidin-4-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[7-(4-methylpiperidin-4-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
PubChem CID118436081
Molecular FormulaC20H28N8O
Molecular Weight396.50 g/mol
Exact Mass396.24
IUPAC Name5-[7-(4-methylpiperidin-4-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
SMILESCC1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCNCC1
InChIInChI=1S/C20H28N8O/c1-20(3-5-22-6-4-20)28-7-2-15-16(14-12-23-18(21)24-13-14)25-19(26-17(15)28)27-8-10-29-11-9-27/h12-13,22H,2-11H2,1H3,(H2,21,23,24)
InChIKeyDEUJZFLNVDVURG-UHFFFAOYSA-N
XLogP0.86
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[7-(4-methylpiperidin-4-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-[7-(4-methylpiperidin-4-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine (CID 118436081) is 5-[7-(4-methylpiperidin-4-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[7-(4-methylpiperidin-4-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[7-(4-methylpiperidin-4-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine is CC1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCNCC1.
What is the InChIKey of 5-[7-(4-methylpiperidin-4-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine?
The InChIKey is DEUJZFLNVDVURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N8O/c1-20(3-5-22-6-4-20)28-7-2-15-16(14-12-23-18(21)24-13-14)25-19(26-17(15)28)27-8-10-29-11-9-27/h12-13,22H,2-11H2,1H3,(H2,21,23,24).
What are the key properties of 5-[7-(4-methylpiperidin-4-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine?
5-[7-(4-methylpiperidin-4-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine has a molecular weight of 396.50 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(4-methylpiperidin-4-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 118436081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).