6-(2-aminopyrimidin-5-yl)-9-butan-2-yl-2-morpholin-4-yl-N-propan-2-ylpurin-8-amine

C20H29N9O — CID 46937823

IUPAC6-(2-aminopyrimidin-5-yl)-9-butan-2-yl-2-morpholin-4-yl-N-propan-2-ylpurin-8-amine
SMILESCCC(C)n1c(NC(C)C)nc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21
InChIInChI=1S/C20H29N9O/c1-5-13(4)29-17-16(26-20(29)24-12(2)3)15(14-10-22-18(21)23-11-14)25-19(27-17)28-6-8-30-9-7-28/h10-13H,5-9H2,1-4H3,(H,24,26)(H2,21,22,23)
InChIKeyXTMKDCGSKVUQGJ-UHFFFAOYSA-N
MW411.51 g/mol
LogP2.49
Rot. Bonds6

About 6-(2-aminopyrimidin-5-yl)-9-butan-2-yl-2-morpholin-4-yl-N-propan-2-ylpurin-8-amine

6-(2-aminopyrimidin-5-yl)-9-butan-2-yl-2-morpholin-4-yl-N-propan-2-ylpurin-8-amine (PubChem CID 46937823) has the molecular formula C20H29N9O and a molecular weight of 411.51 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-9-butan-2-yl-2-morpholin-4-yl-N-propan-2-ylpurin-8-amine.

Molecular Properties

Compound Name6-(2-aminopyrimidin-5-yl)-9-butan-2-yl-2-morpholin-4-yl-N-propan-2-ylpurin-8-amine
PubChem CID46937823
Molecular FormulaC20H29N9O
Molecular Weight411.51 g/mol
Exact Mass411.25
IUPAC Name6-(2-aminopyrimidin-5-yl)-9-butan-2-yl-2-morpholin-4-yl-N-propan-2-ylpurin-8-amine
SMILESCCC(C)n1c(NC(C)C)nc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21
InChIInChI=1S/C20H29N9O/c1-5-13(4)29-17-16(26-20(29)24-12(2)3)15(14-10-22-18(21)23-11-14)25-19(27-17)28-6-8-30-9-7-28/h10-13H,5-9H2,1-4H3,(H,24,26)(H2,21,22,23)
InChIKeyXTMKDCGSKVUQGJ-UHFFFAOYSA-N
XLogP2.49
TPSA119.90 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-(2-aminopyrimidin-5-yl)-9-butan-2-yl-2-morpholin-4-yl-N-propan-2-ylpurin-8-amine with MolForge

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Related Compounds

5-(8-cyclopentyloxy-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine
CID 46938046
5-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine
CID 70224122
N-ethyl-5-(8-methyl-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine
CID 137451940
(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;(2S)-2-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;5-(1-butan-2-yl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)pyrimidin-2-amine
CID 159335563
5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrimidin-2-amine
CID 59588823
1-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]phenyl]ethanol
CID 67221249
5-(2-morpholin-4-yl-7-propan-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine
CID 118444322
5-[2-morpholin-4-yl-9-(2-piperazin-1-ylethyl)purin-6-yl]pyrimidin-2-amine
CID 58285250
5-[8-methyl-2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine
CID 25256167
9-[(2R)-butan-2-yl]-2-morpholin-4-ylpurin-6-amine
CID 69098224
9-butan-2-yl-2,6-dichloropurine;5-(9-butan-2-yl-2-morpholin-4-ylpurin-6-yl)pyridin-2-amine
CID 158100431
(2S)-2-amino-1-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]propan-1-one
CID 58285310

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-5-yl)-9-butan-2-yl-2-morpholin-4-yl-N-propan-2-ylpurin-8-amine?
The IUPAC name of 6-(2-aminopyrimidin-5-yl)-9-butan-2-yl-2-morpholin-4-yl-N-propan-2-ylpurin-8-amine (CID 46937823) is 6-(2-aminopyrimidin-5-yl)-9-butan-2-yl-2-morpholin-4-yl-N-propan-2-ylpurin-8-amine.
What is the SMILES notation for 6-(2-aminopyrimidin-5-yl)-9-butan-2-yl-2-morpholin-4-yl-N-propan-2-ylpurin-8-amine?
The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-9-butan-2-yl-2-morpholin-4-yl-N-propan-2-ylpurin-8-amine is CCC(C)n1c(NC(C)C)nc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.
What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-9-butan-2-yl-2-morpholin-4-yl-N-propan-2-ylpurin-8-amine?
The InChIKey is XTMKDCGSKVUQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N9O/c1-5-13(4)29-17-16(26-20(29)24-12(2)3)15(14-10-22-18(21)23-11-14)25-19(27-17)28-6-8-30-9-7-28/h10-13H,5-9H2,1-4H3,(H,24,26)(H2,21,22,23).
What are the key properties of 6-(2-aminopyrimidin-5-yl)-9-butan-2-yl-2-morpholin-4-yl-N-propan-2-ylpurin-8-amine?
6-(2-aminopyrimidin-5-yl)-9-butan-2-yl-2-morpholin-4-yl-N-propan-2-ylpurin-8-amine has a molecular weight of 411.51 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-5-yl)-9-butan-2-yl-2-morpholin-4-yl-N-propan-2-ylpurin-8-amine is sourced from PubChem (CID 46937823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).