N-[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine

C20H26N8O — CID 175651069

IUPACN-[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1cc2ncnc(N3CCCC(Nc4ccnc(N5CCOCC5)n4)C3)c2[nH]1
InChIInChI=1S/C20H26N8O/c1-14-11-16-18(24-14)19(23-13-22-16)28-6-2-3-15(12-28)25-17-4-5-21-20(26-17)27-7-9-29-10-8-27/h4-5,11,13,15,24H,2-3,6-10,12H2,1H3,(H,21,25,26)
InChIKeyLQVYQBCVLWEKRU-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.97
Rot. Bonds4

About N-[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine

N-[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 175651069) has the molecular formula C20H26N8O and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID175651069
Molecular FormulaC20H26N8O
Molecular Weight394.48 g/mol
Exact Mass394.22
IUPAC NameN-[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1cc2ncnc(N3CCCC(Nc4ccnc(N5CCOCC5)n4)C3)c2[nH]1
InChIInChI=1S/C20H26N8O/c1-14-11-16-18(24-14)19(23-13-22-16)28-6-2-3-15(12-28)25-17-4-5-21-20(26-17)27-7-9-29-10-8-27/h4-5,11,13,15,24H,2-3,6-10,12H2,1H3,(H,21,25,26)
InChIKeyLQVYQBCVLWEKRU-UHFFFAOYSA-N
XLogP1.97
TPSA95.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine (CID 175651069) is N-[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine is Cc1cc2ncnc(N3CCCC(Nc4ccnc(N5CCOCC5)n4)C3)c2[nH]1.
What is the InChIKey of N-[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is LQVYQBCVLWEKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O/c1-14-11-16-18(24-14)19(23-13-22-16)28-6-2-3-15(12-28)25-17-4-5-21-20(26-17)27-7-9-29-10-8-27/h4-5,11,13,15,24H,2-3,6-10,12H2,1H3,(H,21,25,26).
What are the key properties of N-[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine?
N-[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 394.48 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 175651069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).