(Z)-1-[3-(8,9-dimethyl-6-morpholin-4-ylpurin-2-yl)phenyl]-3-methyliminoprop-1-en-1-amine

C21H25N7O — CID 168921019

IUPAC(Z)-1-[3-(8,9-dimethyl-6-morpholin-4-ylpurin-2-yl)phenyl]-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C=C(\N)c1cccc(-c2nc(N3CCOCC3)c3nc(C)n(C)c3n2)c1
InChIInChI=1S/C21H25N7O/c1-14-24-18-20(27(14)3)25-19(26-21(18)28-9-11-29-12-10-28)16-6-4-5-15(13-16)17(22)7-8-23-2/h4-8,13H,9-12,22H2,1-3H3/b17-7-,23-8+
InChIKeyUROQZWGDPYAKRJ-BARPXEONSA-N
MW391.48 g/mol
LogP2.18
Rot. Bonds4

About (Z)-1-[3-(8,9-dimethyl-6-morpholin-4-ylpurin-2-yl)phenyl]-3-methyliminoprop-1-en-1-amine

(Z)-1-[3-(8,9-dimethyl-6-morpholin-4-ylpurin-2-yl)phenyl]-3-methyliminoprop-1-en-1-amine (PubChem CID 168921019) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is (Z)-1-[3-(8,9-dimethyl-6-morpholin-4-ylpurin-2-yl)phenyl]-3-methyliminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-[3-(8,9-dimethyl-6-morpholin-4-ylpurin-2-yl)phenyl]-3-methyliminoprop-1-en-1-amine
PubChem CID168921019
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name(Z)-1-[3-(8,9-dimethyl-6-morpholin-4-ylpurin-2-yl)phenyl]-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C=C(\N)c1cccc(-c2nc(N3CCOCC3)c3nc(C)n(C)c3n2)c1
InChIInChI=1S/C21H25N7O/c1-14-24-18-20(27(14)3)25-19(26-21(18)28-9-11-29-12-10-28)16-6-4-5-15(13-16)17(22)7-8-23-2/h4-8,13H,9-12,22H2,1-3H3/b17-7-,23-8+
InChIKeyUROQZWGDPYAKRJ-BARPXEONSA-N
XLogP2.18
TPSA94.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-[3-(9-ethyl-7-methyl-6-morpholin-4-yl-8-pyridin-4-yl-8H-purin-2-yl)phenyl]-3-methyliminoprop-1-en-1-amine;methanol
CID 168921121
4-(2-chloro-8,9-dimethylpurin-6-yl)morpholine
CID 59806507
4-[9-ethyl-8-iodo-2-[3-(1-methylpyrazol-3-yl)phenyl]purin-6-yl]morpholine
CID 168921038
N'-hydroxy-9-methyl-6-morpholin-4-yl-8-pyridin-4-ylpurine-2-carboximidamide
CID 162379149
5-(8-ethyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine
CID 127049341
1-[9-ethyl-2-[3-(1-methylpyrazol-3-yl)phenyl]-6-morpholin-4-ylpurin-8-yl]cyclobutan-1-ol
CID 168921626
3-[[5-[[(Z)-3-amino-3-(3-methylphenyl)prop-2-enylidene]amino]-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methoxy]propanenitrile
CID 172568501
3-(7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-yl)phenol
CID 173099726
[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol
CID 118243130
2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carbaldehyde
CID 118243122
4-morpholin-4-yl-2-phenylquinazolin-6-ol
CID 3100191
4-[2-(3-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]morpholine
CID 42635323

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[3-(8,9-dimethyl-6-morpholin-4-ylpurin-2-yl)phenyl]-3-methyliminoprop-1-en-1-amine?
The IUPAC name of (Z)-1-[3-(8,9-dimethyl-6-morpholin-4-ylpurin-2-yl)phenyl]-3-methyliminoprop-1-en-1-amine (CID 168921019) is (Z)-1-[3-(8,9-dimethyl-6-morpholin-4-ylpurin-2-yl)phenyl]-3-methyliminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-1-[3-(8,9-dimethyl-6-morpholin-4-ylpurin-2-yl)phenyl]-3-methyliminoprop-1-en-1-amine?
The canonical SMILES for (Z)-1-[3-(8,9-dimethyl-6-morpholin-4-ylpurin-2-yl)phenyl]-3-methyliminoprop-1-en-1-amine is C/N=C/C=C(\N)c1cccc(-c2nc(N3CCOCC3)c3nc(C)n(C)c3n2)c1.
What is the InChIKey of (Z)-1-[3-(8,9-dimethyl-6-morpholin-4-ylpurin-2-yl)phenyl]-3-methyliminoprop-1-en-1-amine?
The InChIKey is UROQZWGDPYAKRJ-BARPXEONSA-N. The full InChI is InChI=1S/C21H25N7O/c1-14-24-18-20(27(14)3)25-19(26-21(18)28-9-11-29-12-10-28)16-6-4-5-15(13-16)17(22)7-8-23-2/h4-8,13H,9-12,22H2,1-3H3/b17-7-,23-8+.
What are the key properties of (Z)-1-[3-(8,9-dimethyl-6-morpholin-4-ylpurin-2-yl)phenyl]-3-methyliminoprop-1-en-1-amine?
(Z)-1-[3-(8,9-dimethyl-6-morpholin-4-ylpurin-2-yl)phenyl]-3-methyliminoprop-1-en-1-amine has a molecular weight of 391.48 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[3-(8,9-dimethyl-6-morpholin-4-ylpurin-2-yl)phenyl]-3-methyliminoprop-1-en-1-amine is sourced from PubChem (CID 168921019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).