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

C19H26N8O — CID 137451940

IUPACN-ethyl-5-(8-methyl-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine
SMILESCCNc1ncc(-c2nc(N3CCOCC3)nc3c2nc(C)n3C(C)C)cn1
InChIInChI=1S/C19H26N8O/c1-5-20-18-21-10-14(11-22-18)15-16-17(27(12(2)3)13(4)23-16)25-19(24-15)26-6-8-28-9-7-26/h10-12H,5-9H2,1-4H3,(H,20,21,22)
InChIKeyJPQLTNKPJYBWPS-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.44
Rot. Bonds5

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

N-ethyl-5-(8-methyl-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine (PubChem CID 137451940) has the molecular formula C19H26N8O and a molecular weight of 382.47 g/mol. Its IUPAC name is N-ethyl-5-(8-methyl-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(8-methyl-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine
PubChem CID137451940
Molecular FormulaC19H26N8O
Molecular Weight382.47 g/mol
Exact Mass382.22
IUPAC NameN-ethyl-5-(8-methyl-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine
SMILESCCNc1ncc(-c2nc(N3CCOCC3)nc3c2nc(C)n3C(C)C)cn1
InChIInChI=1S/C19H26N8O/c1-5-20-18-21-10-14(11-22-18)15-16-17(27(12(2)3)13(4)23-16)25-19(24-15)26-6-8-28-9-7-26/h10-12H,5-9H2,1-4H3,(H,20,21,22)
InChIKeyJPQLTNKPJYBWPS-UHFFFAOYSA-N
XLogP2.44
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-(2-aminopyrimidin-5-yl)-9-butan-2-yl-2-morpholin-4-yl-N-propan-2-ylpurin-8-amine
CID 46937823
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
5-[8-methyl-2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine
CID 25256167
2-N-butan-2-yl-4-N-ethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80765648
N-ethyl-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 34253082
4-N-ethyl-6-morpholin-4-yl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
CID 80750303
N-ethyl-4-morpholin-4-yl-6-pentan-2-yloxy-1,3,5-triazin-2-amine
CID 102989518
4-[6,7-dimethyl-4-(6-methyl-3-pyridinyl)pteridin-2-yl]morpholine
CID 157045468
2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethanol
CID 80866849
9-butan-2-yl-2,6-dichloropurine;5-(9-butan-2-yl-2-morpholin-4-ylpurin-6-yl)pyridin-2-amine
CID 158100431
2-N-cyclobutyl-4-N-ethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80826457

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(8-methyl-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-5-(8-methyl-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine (CID 137451940) is N-ethyl-5-(8-methyl-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-(8-methyl-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-(8-methyl-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine is CCNc1ncc(-c2nc(N3CCOCC3)nc3c2nc(C)n3C(C)C)cn1.
What is the InChIKey of N-ethyl-5-(8-methyl-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine?
The InChIKey is JPQLTNKPJYBWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8O/c1-5-20-18-21-10-14(11-22-18)15-16-17(27(12(2)3)13(4)23-16)25-19(24-15)26-6-8-28-9-7-26/h10-12H,5-9H2,1-4H3,(H,20,21,22).
What are the key properties of N-ethyl-5-(8-methyl-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine?
N-ethyl-5-(8-methyl-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine has a molecular weight of 382.47 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(8-methyl-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine is sourced from PubChem (CID 137451940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).