1-[(2R)-4-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-8-yl]-2-methylpiperazin-1-yl]ethanone

C20H29N7O2 — CID 141266185

IUPAC1-[(2R)-4-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-8-yl]-2-methylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc3c(N4CCOCC4)ncnc3n2CC2CC2)C[C@H]1C
InChIInChI=1S/C20H29N7O2/c1-14-11-25(5-6-26(14)15(2)28)20-23-17-18(24-7-9-29-10-8-24)21-13-22-19(17)27(20)12-16-3-4-16/h13-14,16H,3-12H2,1-2H3/t14-/m1/s1
InChIKeyPUYPYVATTNIVQB-CQSZACIVSA-N
MW399.50 g/mol
LogP1.13
Rot. Bonds4

About 1-[(2R)-4-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-8-yl]-2-methylpiperazin-1-yl]ethanone

1-[(2R)-4-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-8-yl]-2-methylpiperazin-1-yl]ethanone (PubChem CID 141266185) has the molecular formula C20H29N7O2 and a molecular weight of 399.50 g/mol. Its IUPAC name is 1-[(2R)-4-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-8-yl]-2-methylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-4-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-8-yl]-2-methylpiperazin-1-yl]ethanone
PubChem CID141266185
Molecular FormulaC20H29N7O2
Molecular Weight399.50 g/mol
Exact Mass399.24
IUPAC Name1-[(2R)-4-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-8-yl]-2-methylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc3c(N4CCOCC4)ncnc3n2CC2CC2)C[C@H]1C
InChIInChI=1S/C20H29N7O2/c1-14-11-25(5-6-26(14)15(2)28)20-23-17-18(24-7-9-29-10-8-24)21-13-22-19(17)27(20)12-16-3-4-16/h13-14,16H,3-12H2,1-2H3/t14-/m1/s1
InChIKeyPUYPYVATTNIVQB-CQSZACIVSA-N
XLogP1.13
TPSA79.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-1-[(2R)-4-[2-(2-aminopyrimidin-5-yl)-9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-8-yl]-2-methylpiperazin-1-yl]-2-hydroxypropan-1-one;(2S)-4-[2-(2-aminopyrimidin-5-yl)-9-(2-methylpropyl)-6-morpholin-4-ylpurin-8-yl]-2-methylpiperazine-1-carbaldehyde;(2R)-4-[2-(2-aminopyrimidin-5-yl)-9-(2-methylpropyl)-6-morpholin-4-ylpurin-8-yl]-2-methylpiperazine-1-carbaldehyde;1-[(2S)-4-[2-(2-aminopyrimidin-5-yl)-9-(2-methylpropyl)-6-morpholin-4-ylpurin-8-yl]-2-methylpiperazin-1-yl]ethanone
CID 158182945
1-[(2R)-4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-8-yl]-2-methylpiperazin-1-yl]ethanone;sulfuric acid
CID 54756168
5-[9-(cyclopropylmethyl)-8-[(3R)-3-methylpiperazin-1-yl]-6-morpholin-4-ylpurin-2-yl]pyrimidin-2-amine
CID 59333522
1-[4-[2-(2-aminopyrimidin-5-yl)-9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-8-yl]piperazin-1-yl]ethanone;5-[8-chloro-9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-2-yl]pyrimidin-2-amine;methane;1-piperazin-1-ylethanone
CID 160986899
(3S)-1-[(2R)-4-[2-(2-aminopyrimidin-5-yl)-9-(2-methylpropyl)-6-morpholin-4-ylpurin-8-yl]-2-methylpiperazin-1-yl]-3-hydroxybutan-1-one
CID 59333654
5-[9-(cyclopropylmethyl)-6-morpholin-4-yl-8-piperazin-1-ylpurin-2-yl]pyrimidin-2-amine
CID 59333573
4-[8-chloro-9-(cyclopropylmethyl)-2-(4-methylpyrimidin-5-yl)purin-6-yl]morpholine
CID 141266183
1-[(2R)-4-[2-[(E,3Z)-3-(aminomethylimino)-1-(methylideneamino)prop-1-en-2-yl]-6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-8-yl]-2-methylpiperazin-1-yl]-2-hydroxyethanone
CID 143975402
N-methyl-5-[8-(4-methylsulfonylpiperazin-1-yl)-6-morpholin-4-yl-9-(oxolan-3-ylmethyl)purin-2-yl]pyrimidin-2-amine
CID 59333624
8-(1-aminoethyl)-3-(cyclobutylmethyl)-6-methyl-2-morpholin-4-ylquinazolin-4-one
CID 170753768
8-acetyl-6-methyl-2-morpholin-4-yl-3-(oxolan-3-ylmethyl)quinazolin-4-one
CID 170753453
ethyl 1-(cyclopropylmethyl)-6-morpholin-4-ylpyrrolo[2,3-b]pyridine-2-carboxylate
CID 129231409

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-8-yl]-2-methylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-4-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-8-yl]-2-methylpiperazin-1-yl]ethanone (CID 141266185) is 1-[(2R)-4-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-8-yl]-2-methylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-4-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-8-yl]-2-methylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-4-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-8-yl]-2-methylpiperazin-1-yl]ethanone is CC(=O)N1CCN(c2nc3c(N4CCOCC4)ncnc3n2CC2CC2)C[C@H]1C.
What is the InChIKey of 1-[(2R)-4-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-8-yl]-2-methylpiperazin-1-yl]ethanone?
The InChIKey is PUYPYVATTNIVQB-CQSZACIVSA-N. The full InChI is InChI=1S/C20H29N7O2/c1-14-11-25(5-6-26(14)15(2)28)20-23-17-18(24-7-9-29-10-8-24)21-13-22-19(17)27(20)12-16-3-4-16/h13-14,16H,3-12H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-[(2R)-4-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-8-yl]-2-methylpiperazin-1-yl]ethanone?
1-[(2R)-4-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-8-yl]-2-methylpiperazin-1-yl]ethanone has a molecular weight of 399.50 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-8-yl]-2-methylpiperazin-1-yl]ethanone is sourced from PubChem (CID 141266185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).