5-(8-ethyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine

C16H20N8O — CID 127049341

IUPAC5-(8-ethyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine
SMILESCCc1nc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc2n1C
InChIInChI=1S/C16H20N8O/c1-3-11-20-12-14(23(11)2)21-13(10-8-18-16(17)19-9-10)22-15(12)24-4-6-25-7-5-24/h8-9H,3-7H2,1-2H3,(H2,17,18,19)
InChIKeyQZUIFYYZVSWWCN-UHFFFAOYSA-N
MW340.39 g/mol
LogP0.80
Rot. Bonds3

About 5-(8-ethyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine

5-(8-ethyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine (PubChem CID 127049341) has the molecular formula C16H20N8O and a molecular weight of 340.39 g/mol. Its IUPAC name is 5-(8-ethyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(8-ethyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine
PubChem CID127049341
Molecular FormulaC16H20N8O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC Name5-(8-ethyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine
SMILESCCc1nc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc2n1C
InChIInChI=1S/C16H20N8O/c1-3-11-20-12-14(23(11)2)21-13(10-8-18-16(17)19-9-10)22-15(12)24-4-6-25-7-5-24/h8-9H,3-7H2,1-2H3,(H2,17,18,19)
InChIKeyQZUIFYYZVSWWCN-UHFFFAOYSA-N
XLogP0.80
TPSA107.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-(9-ethyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine
CID 143903048
5-[6-morpholin-4-yl-9-(3-morpholin-4-ylpropyl)purin-2-yl]pyrimidin-2-amine
CID 66909825
5-[9-(cyclopropylmethyl)-8-(3,5-dimethylpiperazin-1-yl)-6-morpholin-4-ylpurin-2-yl]pyrimidin-2-amine
CID 66658511
5-[8-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-9-(2-methylpropyl)-6-morpholin-4-ylpurin-2-yl]pyrimidin-2-amine
CID 66658712
5-[9-(cyclopropylmethyl)-8-[(3R)-3-methylpiperazin-1-yl]-6-morpholin-4-ylpurin-2-yl]pyrimidin-2-amine
CID 59333522
5-[9-(cyclopropylmethyl)-6-morpholin-4-yl-8-piperazin-1-ylpurin-2-yl]pyrimidin-2-amine
CID 59333573
(E)-3-[4-[[[2-(2-aminopyrimidin-5-yl)-9-ethyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 118374622
1-[4-[2-(2-aminopyrimidin-5-yl)-9-(2-methylpropyl)-6-morpholin-4-ylpurin-8-yl]piperazin-1-yl]-2-hydroxyethanone
CID 45376102
5-(5-methyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 59829304
5-[(8-ethyl-9-methyl-6-morpholin-4-ylpurin-2-yl)sulfanylmethyl]-2-propoxyaniline
CID 66597169
2-ethyl-5-[(8-ethyl-9-methyl-6-morpholin-4-ylpurin-2-yl)sulfonylmethyl]aniline
CID 141283728
5-(2-methyl-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)pyrimidin-2-amine
CID 143782763

Frequently Asked Questions

What is the IUPAC name of 5-(8-ethyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-(8-ethyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine (CID 127049341) is 5-(8-ethyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(8-ethyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(8-ethyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine is CCc1nc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc2n1C.
What is the InChIKey of 5-(8-ethyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine?
The InChIKey is QZUIFYYZVSWWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O/c1-3-11-20-12-14(23(11)2)21-13(10-8-18-16(17)19-9-10)22-15(12)24-4-6-25-7-5-24/h8-9H,3-7H2,1-2H3,(H2,17,18,19).
What are the key properties of 5-(8-ethyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine?
5-(8-ethyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine has a molecular weight of 340.39 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-ethyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 127049341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).